N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine

C17H28N2 — CID 81026013

IUPACN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1ccncc1
InChIInChI=1S/C17H28N2/c1-2-10-19-14-17-7-5-3-4-6-16(17)13-15-8-11-18-12-9-15/h8-9,11-12,16-17,19H,2-7,10,13-14H2,1H3
InChIKeyMJQZKYCDLATRHO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.82
Rot. Bonds6

About N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine

N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine (PubChem CID 81026013) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
PubChem CID81026013
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine
SMILESCCCNCC1CCCCCC1Cc1ccncc1
InChIInChI=1S/C17H28N2/c1-2-10-19-14-17-7-5-3-4-6-16(17)13-15-8-11-18-12-9-15/h8-9,11-12,16-17,19H,2-7,10,13-14H2,1H3
InChIKeyMJQZKYCDLATRHO-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine 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-[(4-bromophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025478
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-[[2-[(3,5-difluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 105411507
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
N-[[2-[(3-chloro-4-pyridinyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034036
N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033564
N-[[2-[(3-methoxyphenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81034374
2-methyl-N-[[2-(pyridin-4-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81028492
N-[[2-[(2-fluorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81026010
N-[[2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 107889369
N-[[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 103042336
N-[[2-[(2,6-dichlorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027643

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine (CID 81026013) is N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine is CCCNCC1CCCCCC1Cc1ccncc1.
What is the InChIKey of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine?
The InChIKey is MJQZKYCDLATRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-10-19-14-17-7-5-3-4-6-16(17)13-15-8-11-18-12-9-15/h8-9,11-12,16-17,19H,2-7,10,13-14H2,1H3.
What are the key properties of N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine?
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]propan-1-amine is sourced from PubChem (CID 81026013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).