butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)

C76H152N18 — CID 158231137

IUPACbutane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)
SMILESC/C(=N\C(C)C)C(C)C.CC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nncn1C(C)C.CC(C)c1nnnn1C(C)C.CC/C(=N\C(C)C)C(C)C.CCCC
InChIInChI=1S/2C9H16N2.C9H19N.2C8H15N3.C8H17N.C7H14N4.2C7H15N.C4H10/c1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6-9(7(2)3)10-8(4)5;1-6(2)8-10-9-5-11(8)7(3)4;1-6(2)8-5-9-10-11(8)7(3)4;1-6(2)8(5)9-7(3)4;1-5(2)7-8-9-10-11(7)6(3)4;2*1-6(2)5-8-7(3)4;1-3-4-2/h2*5-8H,1-4H3;7-8H,6H2,1-5H3;2*5-7H,1-4H3;6-7H,1-5H3;5-6H,1-4H3;2*5-7H,1-4H3;3-4H2,1-2H3/b;;10-9+;;;9-8+;;2*8-5+;
InChIKeyGEJXQFGIDOUNQX-WCFXYFGXSA-N
MW1318.18 g/mol
LogP21.98
Rot. Bonds20

About butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)

butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) (PubChem CID 158231137) has the molecular formula C76H152N18 and a molecular weight of 1318.18 g/mol. Its IUPAC name is butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine).

Molecular Properties

Compound Namebutane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)
PubChem CID158231137
Molecular FormulaC76H152N18
Molecular Weight1318.18 g/mol
Exact Mass1317.24
IUPAC Namebutane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)
SMILESC/C(=N\C(C)C)C(C)C.CC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nncn1C(C)C.CC(C)c1nnnn1C(C)C.CC/C(=N\C(C)C)C(C)C.CCCC
InChIInChI=1S/2C9H16N2.C9H19N.2C8H15N3.C8H17N.C7H14N4.2C7H15N.C4H10/c1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6-9(7(2)3)10-8(4)5;1-6(2)8-10-9-5-11(8)7(3)4;1-6(2)8-5-9-10-11(8)7(3)4;1-6(2)8(5)9-7(3)4;1-5(2)7-8-9-10-11(7)6(3)4;2*1-6(2)5-8-7(3)4;1-3-4-2/h2*5-8H,1-4H3;7-8H,6H2,1-5H3;2*5-7H,1-4H3;6-7H,1-5H3;5-6H,1-4H3;2*5-7H,1-4H3;3-4H2,1-2H3/b;;10-9+;;;9-8+;;2*8-5+;
InChIKeyGEJXQFGIDOUNQX-WCFXYFGXSA-N
XLogP21.98
TPSA190.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001318.18
LogP ≤ 521.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) with MolForge

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Related Compounds

1,5-Dimethyl-2-propan-2-ylimidazole;1,2-dimethyl-5-(trifluoromethyl)imidazole;1,5-dimethyl-2-(trifluoromethyl)imidazole;1-methyl-2,5-bis(trifluoromethyl)imidazole;1-methyl-2,5-di(propan-2-yl)imidazole;1,2,4,5-tetramethylimidazole;1,2,5-trimethylimidazole
CID 160840771
3-(Difluoromethyl)-1-propan-2-yl-1,2,4-triazole;4-(1-fluoroethyl)-1-propan-2-yltriazole;4-methyl-1-propan-2-yltriazole;1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 163795193
1,5-Dimethyltetrazole;2,5-dimethyltetrazole;ethane;bis(1-methyltriazole);bis(1-methyl-1,2,4-triazole);2-methyltriazole;4-methyl-1,2,4-triazole;2,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
CID 157052208
2,4-Diethyl-1,3-dimethylimidazol-1-ium;1-ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,4-tetramethylimidazol-1-ium;1,2,3-trimethylimidazol-1-ium;1,3,4-trimethylimidazol-1-ium
CID 157108694
2-(5-Cyclopropyltetrazol-2-yl)ethanamine;2-(1-ethylimidazol-4-yl)ethanamine;2-(5-ethyltetrazol-2-yl)ethanamine;(2-ethyltetrazol-5-yl)methanamine;2-(1-methyltetrazol-5-yl)ethanamine;2-(2-methyltetrazol-5-yl)ethanamine
CID 157110174
4-Cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole;methane
CID 157203644
5-Methylidene-1,3,4-tri(propan-2-yl)-1,2,4-triazole;bis(1,2,4-tri(propan-2-yl)imidazole);1,3,5-tri(propan-2-yl)-1,2,4-triazole
CID 157256353
Tris(2,5-dimethyl-1,4-di(propan-2-yl)imidazole);2,4-dimethyl-1-propan-2-ylimidazole;2-methyl-1,4-di(propan-2-yl)imidazole;bis(2,4,5-trimethyl-1-propan-2-ylimidazole)
CID 157479184
4-Cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole
CID 158000441
1-Ethyl-2,3-dimethylimidazol-3-ium;2-ethyl-1,3-dimethylimidazol-1-ium;2-ethyl-1,3,4-trimethylimidazol-1-ium;4-ethyl-1,2,3-trimethylimidazol-1-ium
CID 158156071
4-Tert-butyl-3-methyl-1-pentylimidazol-1-ium;1-ethyl-3-hexylimidazol-3-ium;1-hexyl-3-methylimidazol-3-ium;1-hexyl-3-propan-2-ylimidazol-1-ium;1-hexyl-3-propylimidazol-3-ium;methane;1-methyl-3-pentylimidazol-1-ium;1-methyl-3-pentyl-2-propan-2-ylimidazol-1-ium;1,2,4,5-tetramethyl-3-pentylimidazol-1-ium
CID 158217035
1,2-Di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole
CID 158260085

Frequently Asked Questions

What is the IUPAC name of butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)?
The IUPAC name of butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) (CID 158231137) is butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine).
What is the SMILES notation for butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)?
The canonical SMILES for butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) is C/C(=N\C(C)C)C(C)C.CC(C)/C=N/C(C)C.CC(C)/C=N/C(C)C.CC(C)c1cncn1C(C)C.CC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1nncn1C(C)C.CC(C)c1nnnn1C(C)C.CC/C(=N\C(C)C)C(C)C.CCCC.
What is the InChIKey of butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)?
The InChIKey is GEJXQFGIDOUNQX-WCFXYFGXSA-N. The full InChI is InChI=1S/2C9H16N2.C9H19N.2C8H15N3.C8H17N.C7H14N4.2C7H15N.C4H10/c1-7(2)9-5-10-6-11(9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6-9(7(2)3)10-8(4)5;1-6(2)8-10-9-5-11(8)7(3)4;1-6(2)8-5-9-10-11(8)7(3)4;1-6(2)8(5)9-7(3)4;1-5(2)7-8-9-10-11(7)6(3)4;2*1-6(2)5-8-7(3)4;1-3-4-2/h2*5-8H,1-4H3;7-8H,6H2,1-5H3;2*5-7H,1-4H3;6-7H,1-5H3;5-6H,1-4H3;2*5-7H,1-4H3;3-4H2,1-2H3/b;;10-9+;;;9-8+;;2*8-5+;.
What are the key properties of butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine)?
butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) has a molecular weight of 1318.18 g/mol, XLogP of 21.98, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)tetrazole;1,5-di(propan-2-yl)triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3-methyl-N-propan-2-ylbutan-2-imine;2-methyl-N-propan-2-ylpentan-3-imine;bis(2-methyl-N-propan-2-ylpropan-1-imine) is sourced from PubChem (CID 158231137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).