1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine

C14H27N5 — CID 103527182

IUPAC1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1cn(C(C)(C)C)nn1)N(C)C1CC1
InChIInChI=1S/C14H27N5/c1-11(18(5)13-6-7-13)8-15-9-12-10-19(17-16-12)14(2,3)4/h10-11,13,15H,6-9H2,1-5H3
InChIKeyTYRPHOCKEOIZOE-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.61
Rot. Bonds6

About 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine

1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine (PubChem CID 103527182) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
PubChem CID103527182
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
SMILESCC(CNCc1cn(C(C)(C)C)nn1)N(C)C1CC1
InChIInChI=1S/C14H27N5/c1-11(18(5)13-6-7-13)8-15-9-12-10-19(17-16-12)14(2,3)4/h10-11,13,15H,6-9H2,1-5H3
InChIKeyTYRPHOCKEOIZOE-UHFFFAOYSA-N
XLogP1.61
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine with MolForge

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Related Compounds

1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-ol
CID 103399417
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 103399101
3-[(1-tert-butyltriazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103527457
3-[(1-tert-butyltriazol-4-yl)methylamino]propane-1,2-diol
CID 103399191
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
1-(1-tert-butyltriazol-4-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 103527503
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 103398952
2-[[(1-tert-butyltriazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128001
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethoxypropan-1-amine
CID 103527647
N-[(1-tert-butyltriazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 103399419

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine (CID 103527182) is 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine is CC(CNCc1cn(C(C)(C)C)nn1)N(C)C1CC1.
What is the InChIKey of 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
The InChIKey is TYRPHOCKEOIZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11(18(5)13-6-7-13)8-15-9-12-10-19(17-16-12)14(2,3)4/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine?
1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103527182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).