[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone

C17H32N2O — CID 115969502

IUPAC[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(C(C)N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-10-16(12-19)13(2)18/h13-16H,3-12,18H2,1-2H3
InChIKeyFCDDEHPCKXJRJE-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.18
Rot. Bonds5

About [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone

[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone (PubChem CID 115969502) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
PubChem CID115969502
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
SMILESCCCCC1CCC(C(=O)N2CCC(C(C)N)C2)CC1
InChIInChI=1S/C17H32N2O/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-10-16(12-19)13(2)18/h13-16H,3-12,18H2,1-2H3
InChIKeyFCDDEHPCKXJRJE-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone 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

[4-(1-aminoethyl)piperidin-1-yl]-(4-butylcyclohexyl)methanone;hydrochloride
CID 119520046
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 112630786
(3-aminopiperidin-1-yl)-(4-butylcyclohexyl)methanone
CID 61296841
(4-butylcyclohexyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501545
(4-butylcyclohexyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263642
(4-butylcyclohexyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585138
methyl 1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylate
CID 108731313
[3-(1-aminoethyl)piperidin-1-yl]-(1-butylsulfonylpiperidin-4-yl)methanone;hydrochloride
CID 119594012
(4-butylcyclohexyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624610
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The IUPAC name of [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone (CID 115969502) is [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The canonical SMILES for [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone is CCCCC1CCC(C(=O)N2CCC(C(C)N)C2)CC1.
What is the InChIKey of [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
The InChIKey is FCDDEHPCKXJRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-3-4-5-14-6-8-15(9-7-14)17(20)19-11-10-16(12-19)13(2)18/h13-16H,3-12,18H2,1-2H3.
What are the key properties of [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone?
[3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone has a molecular weight of 280.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)pyrrolidin-1-yl]-(4-butylcyclohexyl)methanone is sourced from PubChem (CID 115969502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).