butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;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)

C77H153N17 — CID 157315111

IUPACbutane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;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)c1ccnn1C(C)C.CC(C)c1cncn1C(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/3C9H16N2.C9H19N.C8H15N3.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;1-7(2)9-5-6-10-11(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)9-7(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/h3*5-8H,1-4H3;7-8H,6H2,1-5H3;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+;
InChIKeyBDMPRFOXHXWGLE-YBOYVELLSA-N
MW1317.19 g/mol
LogP22.59
Rot. Bonds20

About butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 157315111) has the molecular formula C77H153N17 and a molecular weight of 1317.19 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)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 CID157315111
Molecular FormulaC77H153N17
Molecular Weight1317.19 g/mol
Exact Mass1316.25
IUPAC Namebutane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;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)c1ccnn1C(C)C.CC(C)c1cncn1C(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/3C9H16N2.C9H19N.C8H15N3.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;1-7(2)9-5-6-10-11(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)9-7(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/h3*5-8H,1-4H3;7-8H,6H2,1-5H3;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+;
InChIKeyBDMPRFOXHXWGLE-YBOYVELLSA-N
XLogP22.59
TPSA177.21 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001317.19
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

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)pyrazole;1,5-di(propan-2-yl)tetrazole;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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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)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 157315111) is butane;1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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)c1ccnn1C(C)C.CC(C)c1cncn1C(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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 BDMPRFOXHXWGLE-YBOYVELLSA-N. The full InChI is InChI=1S/3C9H16N2.C9H19N.C8H15N3.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;1-7(2)9-5-6-10-11(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)9-7(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/h3*5-8H,1-4H3;7-8H,6H2,1-5H3;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 1317.19 g/mol, XLogP of 22.59, 20 rotatable bonds, 0 hydrogen bond donors, and 17 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)pyrazole;1,5-di(propan-2-yl)tetrazole;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 157315111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).