N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine

C14H26N4 — CID 114690135

IUPACN-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cnnn1CCC
InChIInChI=1S/C14H26N4/c1-3-9-15-13-8-6-5-7-12(13)14-11-16-17-18(14)10-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyBIGDDMQRNWYUOU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.71
Rot. Bonds6

About N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine

N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine (PubChem CID 114690135) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
PubChem CID114690135
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
SMILESCCCNC1CCCCC1c1cnnn1CCC
InChIInChI=1S/C14H26N4/c1-3-9-15-13-8-6-5-7-12(13)14-11-16-17-18(14)10-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyBIGDDMQRNWYUOU-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150
5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
CID 114691580
2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
CID 103131763
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-[cyclohexyl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687200
N-ethyl-2-(4-methoxy-1-propylpyrazol-5-yl)cycloheptan-1-amine
CID 114662955
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
4,4-dimethyl-2-(3-propyltriazol-4-yl)cyclohexane-1-carboxylic acid
CID 114691375
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine?
The IUPAC name of N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine (CID 114690135) is N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine is CCCNC1CCCCC1c1cnnn1CCC.
What is the InChIKey of N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine?
The InChIKey is BIGDDMQRNWYUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-9-15-13-8-6-5-7-12(13)14-11-16-17-18(14)10-4-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine?
N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 114690135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).