3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C17H32N4O — CID 142940702

IUPAC3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCNC1CCN(C(=O)NC2CCN(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C17H32N4O/c1-13-3-5-16(6-4-13)20-9-8-15(12-20)19-17(22)21-10-7-14(11-21)18-2/h13-16,18H,3-12H2,1-2H3,(H,19,22)
InChIKeyFQLUPLBXAAPXOL-UHFFFAOYSA-N
MW308.47 g/mol
LogP1.64
Rot. Bonds3

About 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 142940702) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID142940702
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCNC1CCN(C(=O)NC2CCN(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C17H32N4O/c1-13-3-5-16(6-4-13)20-9-8-15(12-20)19-17(22)21-10-7-14(11-21)18-2/h13-16,18H,3-12H2,1-2H3,(H,19,22)
InChIKeyFQLUPLBXAAPXOL-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-N-(cyclohexylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 44418548
(1R,4S)-N-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 155565371
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
(1S,4S)-N-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 127021228
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl)-4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazine-1-carboxamide
CID 128836372
1-[4-[1-(Difluoromethyl)imidazolidin-2-yl]cyclohexyl]-3-(3,5-dimethylpyrazolidin-4-yl)urea
CID 168118777
1-(4-Methylcyclohexyl)imidazolidin-2-one
CID 580442
(1S,4S)-N-(cyclohexylmethyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 97381196
N-(2,6-dimethylcyclohexyl)-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 72105710
1-[3-(Butylamino)-2,4-diethyloctyl]-5-methylimidazolidin-2-one
CID 22381148
1-[2,4-Diethyl-3-(ethylamino)octyl]-5-methylimidazolidin-2-one
CID 22381187
1-[3-(Butylamino)-2-ethylhexyl]-5-methylimidazolidin-2-one
CID 22381193

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 142940702) is 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is CNC1CCN(C(=O)NC2CCN(C3CCC(C)CC3)C2)C1.
What is the InChIKey of 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is FQLUPLBXAAPXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-13-3-5-16(6-4-13)20-9-8-15(12-20)19-17(22)21-10-7-14(11-21)18-2/h13-16,18H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 308.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 142940702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).