N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine

C15H29N5 — CID 103399101

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cn(C(C)(C)C)nn1)C1CCCC1
InChIInChI=1S/C15H29N5/c1-15(2,3)20-12-13(17-18-20)11-16-9-10-19(4)14-7-5-6-8-14/h12,14,16H,5-11H2,1-4H3
InChIKeyHYFMEXKKXPZMKT-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.00
Rot. Bonds6

About N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 103399101) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID103399101
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1cn(C(C)(C)C)nn1)C1CCCC1
InChIInChI=1S/C15H29N5/c1-15(2,3)20-12-13(17-18-20)11-16-9-10-19(4)14-7-5-6-8-14/h12,14,16H,5-11H2,1-4H3
InChIKeyHYFMEXKKXPZMKT-UHFFFAOYSA-N
XLogP2.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(1-tert-butyltriazol-4-yl)methyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103527182
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
3-[(1-tert-butyltriazol-4-yl)methylamino]propanenitrile
CID 103398646
N'-cyclopentyl-N'-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 55204874
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
CID 103399276
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylpropan-1-amine
CID 103398586
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
N-[(1-tert-butyltriazol-4-yl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 103398563
N-[(1-tert-butyltriazol-4-yl)methyl]-3-methylsulfanylbutan-1-amine
CID 103399419
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 124680879
N-[(1-tert-butyltriazol-4-yl)methyl]-3-phenylbutan-1-amine
CID 103399083

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 103399101) is N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNCc1cn(C(C)(C)C)nn1)C1CCCC1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is HYFMEXKKXPZMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-15(2,3)20-12-13(17-18-20)11-16-9-10-19(4)14-7-5-6-8-14/h12,14,16H,5-11H2,1-4H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103399101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).