N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

C15H28N4 — CID 114688103

IUPACN-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1CCCC(CC)C1
InChIInChI=1S/C15H28N4/c1-4-9-16-15(14-11-17-18-19(14)3)13-8-6-7-12(5-2)10-13/h11-13,15-16H,4-10H2,1-3H3
InChIKeyLZMJXBIJDMNOKJ-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.07
Rot. Bonds6

About N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine

N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 114688103) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID114688103
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnnn1C)C1CCCC(CC)C1
InChIInChI=1S/C15H28N4/c1-4-9-16-15(14-11-17-18-19(14)3)13-8-6-7-12(5-2)10-13/h11-13,15-16H,4-10H2,1-3H3
InChIKeyLZMJXBIJDMNOKJ-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclohexyl-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114687199
N-[(3-ethylcyclohexyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105156132
N-[(3-ethylcyclohexyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105156057
N-[(3-ethylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 65412612
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-[(3,6-dimethylpyridazin-4-yl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 105156216
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
[cyclooctyl-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105255052
N-[(2-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 107191060
1-(3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 114687206

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine (CID 114688103) is N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnnn1C)C1CCCC(CC)C1.
What is the InChIKey of N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is LZMJXBIJDMNOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-9-16-15(14-11-17-18-19(14)3)13-8-6-7-12(5-2)10-13/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).