N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine

C17H33N3 — CID 79618174

IUPACN-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C17H33N3/c1-2-18-15-7-6-8-16(13-15)20-12-9-17(14-20)19-10-4-3-5-11-19/h15-18H,2-14H2,1H3
InChIKeyDOUFEQKPJVIANI-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds4

About N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine

N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 79618174) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID79618174
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCCC(N2CCC(N3CCCCC3)C2)C1
InChIInChI=1S/C17H33N3/c1-2-18-15-7-6-8-16(13-15)20-12-9-17(14-20)19-10-4-3-5-11-19/h15-18H,2-14H2,1H3
InChIKeyDOUFEQKPJVIANI-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-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-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
N-ethyl-3-(4-ethylpiperidin-1-yl)cyclohexan-1-amine
CID 79630874
N-ethyl-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-amine
CID 79618408
cis-(1R,3S)-N-ethyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 66634425
N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine
CID 79618741
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
N-ethyl-1-(3-methylsulfanylcyclohexyl)piperidin-3-amine
CID 114122749
1-cyclopentyl-N-ethylpiperidin-4-amine
CID 43315368
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
2-(3-ethylcyclohexyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine (CID 79618174) is N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine is CCNC1CCCC(N2CCC(N3CCCCC3)C2)C1.
What is the InChIKey of N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is DOUFEQKPJVIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-2-18-15-7-6-8-16(13-15)20-12-9-17(14-20)19-10-4-3-5-11-19/h15-18H,2-14H2,1H3.
What are the key properties of N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine?
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 79618174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).