N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C15H31Cl2N3O — CID 119850522

IUPACN-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CCCN1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-18(2)14(12-7-4-3-5-8-12)11-17-15(19)13-9-6-10-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyJPTLWYNZXOBXNI-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.21
Rot. Bonds5

About N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119850522) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119850522
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC NameN-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCN(C)C(CNC(=O)C1CCCN1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-18(2)14(12-7-4-3-5-8-12)11-17-15(19)13-9-6-10-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyJPTLWYNZXOBXNI-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939169
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119339774
(2R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-2-carboxamide
CID 113267374
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119850522) is N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is CN(C)C(CNC(=O)C1CCCN1)C1CCCCC1.Cl.Cl.
What is the InChIKey of N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is JPTLWYNZXOBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-18(2)14(12-7-4-3-5-8-12)11-17-15(19)13-9-6-10-16-13;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119850522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).