N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine

C19H28N4 — CID 124805599

IUPACN-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
SMILESCCCn1nc(CNC2CCCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-2-14-23-21-18(15-20-17-12-8-3-4-9-13-17)19(22-23)16-10-6-5-7-11-16/h5-7,10-11,17,20H,2-4,8-9,12-15H2,1H3
InChIKeyKOGRLYVBLRCMNE-UHFFFAOYSA-N
MW312.46 g/mol
LogP4.17
Rot. Bonds6

About N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine

N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine (PubChem CID 124805599) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
PubChem CID124805599
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine
SMILESCCCn1nc(CNC2CCCCCC2)c(-c2ccccc2)n1
InChIInChI=1S/C19H28N4/c1-2-14-23-21-18(15-20-17-12-8-3-4-9-13-17)19(22-23)16-10-6-5-7-11-16/h5-7,10-11,17,20H,2-4,8-9,12-15H2,1H3
InChIKeyKOGRLYVBLRCMNE-UHFFFAOYSA-N
XLogP4.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]cycloheptanamine
CID 124818663
N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124816332
N-[[2-[(2-fluorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclohexanamine
CID 124781673
N-[[2-[(2-chlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]cyclopentanamine
CID 124895872
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]propan-2-amine
CID 94074032
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]hexan-1-amine
CID 119027529
2-(2-fluorophenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124808324
2-(4-methoxyphenyl)-N-[(5-phenyl-2-propyltriazol-4-yl)methyl]ethanamine
CID 124804746
benzene;N-benzylcyclohexanamine
CID 142622843
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
(3R)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpiperidin-3-amine
CID 96998820

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine (CID 124805599) is N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine is CCCn1nc(CNC2CCCCCC2)c(-c2ccccc2)n1.
What is the InChIKey of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine?
The InChIKey is KOGRLYVBLRCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-2-14-23-21-18(15-20-17-12-8-3-4-9-13-17)19(22-23)16-10-6-5-7-11-16/h5-7,10-11,17,20H,2-4,8-9,12-15H2,1H3.
What are the key properties of N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine?
N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine has a molecular weight of 312.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-2-propyltriazol-4-yl)methyl]cycloheptanamine is sourced from PubChem (CID 124805599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).