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

C30H62N28 — CID 157110174

IUPAC2-(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
SMILESCCc1nnn(CCN)n1.CCn1cnc(CCN)c1.CCn1nnc(CN)n1.Cn1nnc(CCN)n1.Cn1nnnc1CCN.NCCn1nnc(C2CC2)n1
InChIInChI=1S/C7H13N3.C6H11N5.C5H11N5.3C4H9N5/c1-2-10-5-7(3-4-8)9-6-10;7-3-4-11-9-6(8-10-11)5-1-2-5;1-2-5-7-9-10(8-5)4-3-6;1-9-4(2-3-5)6-7-8-9;1-9-7-4(2-3-5)6-8-9;1-2-9-7-4(3-5)6-8-9/h5-6H,2-4,8H2,1H3;5H,1-4,7H2;2-4,6H2,1H3;3*2-3,5H2,1H3
InChIKeyAGTJDSZSJDBRGC-UHFFFAOYSA-N
MW815.02 g/mol
LogP-4.32
Rot. Bonds15

About 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

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 (PubChem CID 157110174) has the molecular formula C30H62N28 and a molecular weight of 815.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157110174
Molecular FormulaC30H62N28
Molecular Weight815.02 g/mol
Exact Mass814.57
IUPAC Name2-(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
SMILESCCc1nnn(CCN)n1.CCn1cnc(CCN)c1.CCn1nnc(CN)n1.Cn1nnc(CCN)n1.Cn1nnnc1CCN.NCCn1nnc(C2CC2)n1
InChIInChI=1S/C7H13N3.C6H11N5.C5H11N5.3C4H9N5/c1-2-10-5-7(3-4-8)9-6-10;7-3-4-11-9-6(8-10-11)5-1-2-5;1-2-5-7-9-10(8-5)4-3-6;1-9-4(2-3-5)6-7-8-9;1-9-7-4(2-3-5)6-8-9;1-2-9-7-4(3-5)6-8-9/h5-6H,2-4,8H2,1H3;5H,1-4,7H2;2-4,6H2,1H3;3*2-3,5H2,1H3
InChIKeyAGTJDSZSJDBRGC-UHFFFAOYSA-N
XLogP-4.32
TPSA391.94 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.02
LogP ≤ 5-4.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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Related Compounds

4-ethyl-3-[(4-ethyl-1H-imidazol-3-ium-3-yl)methyl]-1H-imidazol-3-ium;bis(3-methyl-2-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-1H-imidazol-3-ium)
CID 91358480
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
4-Cyclopropyl-1-methylimidazole;5-cyclopropyl-2-methyltetrazole;3-cyclopropyl-1-methyl-1,2,4-triazole;4-cyclopropyl-1-methyltriazole
CID 158000441
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
2-methyl-5-propan-2-yl-1H-imidazole;2-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-2H-tetrazole
CID 159038378
tris(1,4-di(propan-2-yl)triazole);bis(3,5-di(propan-2-yl)-1H-1,2,4-triazole);tris(1-methyl-3,5-di(propan-2-yl)-1,2,4-triazole)
CID 159133982
CID 159160333
CID 159160333
2,5-Di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
CID 159223041
5-tert-butyl-1H-imidazole;1-tert-butyl-3-methyl-1,2,4-triazole;3-tert-butyl-1-methyl-1,2,4-triazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole
CID 159315141
Ethane;methane;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-methyl-4-propan-2-yltriazole;4-methyl-3-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
CID 159753257
5-Tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole
CID 159913431

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nnn(CCN)n1.CCn1cnc(CCN)c1.CCn1nnc(CN)n1.Cn1nnc(CCN)n1.Cn1nnnc1CCN.NCCn1nnc(C2CC2)n1.
What is the InChIKey of 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?
The InChIKey is AGTJDSZSJDBRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C6H11N5.C5H11N5.3C4H9N5/c1-2-10-5-7(3-4-8)9-6-10;7-3-4-11-9-6(8-10-11)5-1-2-5;1-2-5-7-9-10(8-5)4-3-6;1-9-4(2-3-5)6-7-8-9;1-9-7-4(2-3-5)6-8-9;1-2-9-7-4(3-5)6-8-9/h5-6H,2-4,8H2,1H3;5H,1-4,7H2;2-4,6H2,1H3;3*2-3,5H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 815.02 g/mol, XLogP of -4.32, 15 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157110174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).