2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine

C16H32N2 — CID 113259931

IUPAC2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCCCN1CCC(C)CC1
InChIInChI=1S/C16H32N2/c1-3-15-6-4-7-16(15)17-10-5-11-18-12-8-14(2)9-13-18/h14-17H,3-13H2,1-2H3
InChIKeyHLNHXOPJONSTFL-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine

2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine (PubChem CID 113259931) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
PubChem CID113259931
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCCCN1CCC(C)CC1
InChIInChI=1S/C16H32N2/c1-3-15-6-4-7-16(15)17-10-5-11-18-12-8-14(2)9-13-18/h14-17H,3-13H2,1-2H3
InChIKeyHLNHXOPJONSTFL-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-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

2-ethyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 61466977
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclobutan-1-amine
CID 104859624
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
1-N-methyl-2-N-(3-pyrrolidin-1-ylpropyl)cyclohexane-1,2-diamine
CID 175787085
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 62871060
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
2-ethyl-N-(2-ethylsulfinylethyl)cyclopentan-1-amine
CID 115719034
N,N-dimethyl-1-[2-[2-(propylamino)cyclopentyl]ethyl]piperidin-4-amine
CID 79569939
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103776314

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine (CID 113259931) is 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine is CCC1CCCC1NCCCN1CCC(C)CC1.
What is the InChIKey of 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine?
The InChIKey is HLNHXOPJONSTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-15-6-4-7-16(15)17-10-5-11-18-12-8-14(2)9-13-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine?
2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 113259931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).