2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

C16H30N4 — CID 62703896

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1n1nc(C)nc1C
InChIInChI=1S/C16H30N4/c1-6-9-17-15-8-7-14(11(2)3)10-16(15)20-13(5)18-12(4)19-20/h11,14-17H,6-10H2,1-5H3
InChIKeyWLFZEUXXWHCKBN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.26
Rot. Bonds5

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 62703896) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID62703896
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1n1nc(C)nc1C
InChIInChI=1S/C16H30N4/c1-6-9-17-15-8-7-14(11(2)3)10-16(15)20-13(5)18-12(4)19-20/h11,14-17H,6-10H2,1-5H3
InChIKeyWLFZEUXXWHCKBN-UHFFFAOYSA-N
XLogP3.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62702986
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-4-propan-2-ylcyclohexan-1-amine
CID 62707865
2-(2,4-dimethylpiperidin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63468038
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 62703896) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1n1nc(C)nc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is WLFZEUXXWHCKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-9-17-15-8-7-14(11(2)3)10-16(15)20-13(5)18-12(4)19-20/h11,14-17H,6-10H2,1-5H3.
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62703896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).