(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine

C16H30N4 — CID 103399276

IUPAC(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
SMILESC[C@@H](NCc1cn(C(C)(C)C)nn1)C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-13(14-9-7-5-6-8-10-14)17-11-15-12-20(19-18-15)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyQZUDBIMXZMQGIZ-CYBMUJFWSA-N
MW278.44 g/mol
LogP3.48
Rot. Bonds4

About (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine

(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine (PubChem CID 103399276) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
PubChem CID103399276
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine
SMILESC[C@@H](NCc1cn(C(C)(C)C)nn1)C1CCCCCC1
InChIInChI=1S/C16H30N4/c1-13(14-9-7-5-6-8-10-14)17-11-15-12-20(19-18-15)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t13-/m1/s1
InChIKeyQZUDBIMXZMQGIZ-CYBMUJFWSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-cyclohexylethylamino)methyl]triazol-1-yl]ethanol
CID 66268500
2-[4-[[[(1R)-1-cyclobutylethyl]amino]methyl]triazol-1-yl]acetonitrile
CID 118957080
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
(1S)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103399284
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 103398582
N-[(1-tert-butyltriazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 103398918
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
CID 103398443
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
(1R)-1-cyclopentyl-N-[(6-methoxypyridazin-3-yl)methyl]ethanamine
CID 114268609
N-[(1-tert-butyltriazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 103399289
N-[(1-tert-butyltriazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103399147
(1R)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-cyclohexylethanamine
CID 104862931

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine?
The IUPAC name of (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine (CID 103399276) is (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine.
What is the SMILES notation for (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine?
The canonical SMILES for (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine is C[C@@H](NCc1cn(C(C)(C)C)nn1)C1CCCCCC1.
What is the InChIKey of (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine?
The InChIKey is QZUDBIMXZMQGIZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30N4/c1-13(14-9-7-5-6-8-10-14)17-11-15-12-20(19-18-15)16(2,3)4/h12-14,17H,5-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine?
(1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine has a molecular weight of 278.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-tert-butyltriazol-4-yl)methyl]-1-cycloheptylethanamine is sourced from PubChem (CID 103399276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).