N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride

C12H26Cl2N2 — CID 56831616

IUPACN-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
SMILESCCN(C1CCCCC1)C1CCNC1.Cl.Cl
InChIInChI=1S/C12H24N2.2ClH/c1-2-14(12-8-9-13-10-12)11-6-4-3-5-7-11;;/h11-13H,2-10H2,1H3;2*1H
InChIKeyUTXGXXLBYGJPPA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.85
Rot. Bonds3

About N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride

N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride (PubChem CID 56831616) has the molecular formula C12H26Cl2N2 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
PubChem CID56831616
Molecular FormulaC12H26Cl2N2
Molecular Weight269.26 g/mol
Exact Mass268.15
IUPAC NameN-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
SMILESCCN(C1CCCCC1)C1CCNC1.Cl.Cl
InChIInChI=1S/C12H24N2.2ClH/c1-2-14(12-8-9-13-10-12)11-6-4-3-5-7-11;;/h11-13H,2-10H2,1H3;2*1H
InChIKeyUTXGXXLBYGJPPA-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride 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-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
CID 65086175
N-ethyl-N-(4-ethylcyclohexyl)pyrrolidin-3-amine
CID 63299411
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-cyclohexyl-N-ethyl-5-methylpiperidin-3-amine
CID 115373345
4-[ethyl(pyrrolidin-3-yl)amino]azepan-2-one
CID 63889082
N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrolidin-3-amine
CID 63299597
N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299503
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071
N-(3,3-dimethylcyclopentyl)-N-ethylpyrrolidin-3-amine
CID 80699221

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride (CID 56831616) is N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride is CCN(C1CCCCC1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is UTXGXXLBYGJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2ClH/c1-2-14(12-8-9-13-10-12)11-6-4-3-5-7-11;;/h11-13H,2-10H2,1H3;2*1H.
What are the key properties of N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride?
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 269.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 56831616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).