N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine

C15H30N2 — CID 55249022

IUPACN-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
SMILESCC1CCCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-5-4-11-17(12-9-13)14(2)6-3-10-16-15-7-8-15/h13-16H,3-12H2,1-2H3
InChIKeyIRHYOQWQFZZANA-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds6

About N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine

N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine (PubChem CID 55249022) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
PubChem CID55249022
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine
SMILESCC1CCCN(C(C)CCCNC2CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-5-4-11-17(12-9-13)14(2)6-3-10-16-15-7-8-15/h13-16H,3-12H2,1-2H3
InChIKeyIRHYOQWQFZZANA-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine 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-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
4-(4-methylazepan-1-yl)-N-propylpentan-1-amine
CID 55248637
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
N-[4-(3-azaspiro[5.5]undecan-3-yl)pentyl]cyclopropanamine
CID 62930303
N-[4-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 56828316
N-[4-(4,4-diethylpiperidin-1-yl)pentyl]cyclopropanamine
CID 63163241
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
N-methyl-3-(4-methylpiperidin-1-yl)butan-1-amine
CID 62438267
N-[4-(2,2,6,6-tetramethylmorpholin-4-yl)pentyl]cyclopropanamine
CID 102746064
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine (CID 55249022) is N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine is CC1CCCN(C(C)CCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine?
The InChIKey is IRHYOQWQFZZANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-5-4-11-17(12-9-13)14(2)6-3-10-16-15-7-8-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine?
N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylazepan-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 55249022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).