N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine

C14H26N4 — CID 112735849

IUPACN-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)n1)C1CCCC(C)C1
InChIInChI=1S/C14H26N4/c1-4-8-15-14(13-10-16-18(3)17-13)12-7-5-6-11(2)9-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyFQBRPBDNQPAFAZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine

N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine (PubChem CID 112735849) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
PubChem CID112735849
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)n1)C1CCCC(C)C1
InChIInChI=1S/C14H26N4/c1-4-8-15-14(13-10-16-18(3)17-13)12-7-5-6-11(2)9-12/h10-12,14-15H,4-9H2,1-3H3
InChIKeyFQBRPBDNQPAFAZ-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-[(3-methylcyclohexyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 115531004
N-[cyclobutyl-(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 105187480
N-[(3-methylcyclohexyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783140
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
N-[(4-chloro-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655689
N-[(3,5-dimethylcyclohexyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107975657
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
N-[(3-ethylthiophen-2-yl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104992089
N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655683
N-[(3-iodophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 104991968

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine (CID 112735849) is N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)n1)C1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
The InChIKey is FQBRPBDNQPAFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-8-15-14(13-10-16-18(3)17-13)12-7-5-6-11(2)9-12/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine?
N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 112735849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).