4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine

C17H32N4 — CID 107044692

IUPAC4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Cc1cn(C)nn1
InChIInChI=1S/C17H32N4/c1-6-9-18-16-8-7-14(17(2,3)4)10-13(16)11-15-12-21(5)20-19-15/h12-14,16,18H,6-11H2,1-5H3
InChIKeyWZVJBLPWLJQIHH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.19
Rot. Bonds5

About 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine

4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine (PubChem CID 107044692) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
PubChem CID107044692
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)(C)C)CC1Cc1cn(C)nn1
InChIInChI=1S/C17H32N4/c1-6-9-18-16-8-7-14(17(2,3)4)10-13(16)11-15-12-21(5)20-19-15/h12-14,16,18H,6-11H2,1-5H3
InChIKeyWZVJBLPWLJQIHH-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine (CID 107044692) is 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)(C)C)CC1Cc1cn(C)nn1.
What is the InChIKey of 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
The InChIKey is WZVJBLPWLJQIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-9-18-16-8-7-14(17(2,3)4)10-13(16)11-15-12-21(5)20-19-15/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine?
4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(1-methyltriazol-4-yl)methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107044692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).