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

C15H28N4 — CID 114690150

IUPACN-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cnnn1CCC
InChIInChI=1S/C15H28N4/c1-3-10-16-14-9-7-5-6-8-13(14)15-12-17-18-19(15)11-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyOZRNWGGYPCZFHD-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.10
Rot. Bonds6

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

N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine (PubChem CID 114690150) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
PubChem CID114690150
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cnnn1CCC
InChIInChI=1S/C15H28N4/c1-3-10-16-14-9-7-5-6-8-13(14)15-12-17-18-19(15)11-4-2/h12-14,16H,3-11H2,1-2H3
InChIKeyOZRNWGGYPCZFHD-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
CID 114690135
2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
CID 103131763
5-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
CID 114691580
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-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
2-[(2-methyltetrazol-5-yl)methyl]-N-propylcycloheptan-1-amine
CID 107044665
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083
2-(5-cycloheptyltriazol-1-yl)ethanamine
CID 115026055
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine?
The IUPAC name of N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine (CID 114690150) is N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine.
What is the SMILES notation for N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine?
The canonical SMILES for N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine is CCCNC1CCCCCC1c1cnnn1CCC.
What is the InChIKey of N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine?
The InChIKey is OZRNWGGYPCZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-10-16-14-9-7-5-6-8-13(14)15-12-17-18-19(15)11-4-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine?
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 3.10, 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)cycloheptan-1-amine is sourced from PubChem (CID 114690150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).