3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide

C20H38N4O — CID 58689039

IUPAC3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(C)C2CCN(C3CCC(C)(C)CC3)C2)C1
InChIInChI=1S/C20H38N4O/c1-20(2)10-6-16(7-11-20)23-12-9-18(15-23)22(5)19(25)24-13-8-17(14-24)21(3)4/h16-18H,6-15H2,1-5H3
InChIKeyXAYJUAQEFOABCX-UHFFFAOYSA-N
MW350.55 g/mol
LogP2.72
Rot. Bonds3

About 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide

3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 58689039) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide
PubChem CID58689039
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(=O)N(C)C2CCN(C3CCC(C)(C)CC3)C2)C1
InChIInChI=1S/C20H38N4O/c1-20(2)10-6-16(7-11-20)23-12-9-18(15-23)22(5)19(25)24-13-8-17(14-24)21(3)4/h16-18H,6-15H2,1-5H3
InChIKeyXAYJUAQEFOABCX-UHFFFAOYSA-N
XLogP2.72
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 58688883
(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 58688973
N-methyl-3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 58689006
3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 58689007
N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 58689030
tert-butyl N-[(3S)-1-[[(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-methylcarbamoyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 58689149
(3S)-N-[(3R)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 58689172
(3S)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 58689248
1-Tert-butyl-3-(4-tert-butylcyclohexyl)imidazolidin-2-one
CID 59476386
(4S)-4-tert-butyl-1-[1-(3-ethyl-5-methylcyclohexyl)ethyl]-3-methylimidazolidin-2-one
CID 70861269
3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 142940702
1-(2-Pyrrolidin-1-ylethyl)-3-[[1,3,3-trimethyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)cyclohexyl]methyl]urea
CID 156847300

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide (CID 58689039) is 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide is CN(C)C1CCN(C(=O)N(C)C2CCN(C3CCC(C)(C)CC3)C2)C1.
What is the InChIKey of 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is XAYJUAQEFOABCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-20(2)10-6-16(7-11-20)23-12-9-18(15-23)22(5)19(25)24-13-8-17(14-24)21(3)4/h16-18H,6-15H2,1-5H3.
What are the key properties of 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide?
3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 350.55 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 58689039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).