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

C19H36N4O — CID 58689007

IUPAC3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCC1CCC(N2CCC(N(C)C(=O)N3CCC(N(C)C)C3)C2)CC1
InChIInChI=1S/C19H36N4O/c1-15-5-7-16(8-6-15)22-11-10-18(14-22)21(4)19(24)23-12-9-17(13-23)20(2)3/h15-18H,5-14H2,1-4H3
InChIKeyYLFFDWDPFBDRIY-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.33
Rot. Bonds3

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

3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 58689007) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID58689007
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCC1CCC(N2CCC(N(C)C(=O)N3CCC(N(C)C)C3)C2)CC1
InChIInChI=1S/C19H36N4O/c1-15-5-7-16(8-6-15)22-11-10-18(14-22)21(4)19(24)23-12-9-17(13-23)20(2)3/h15-18H,5-14H2,1-4H3
InChIKeyYLFFDWDPFBDRIY-UHFFFAOYSA-N
XLogP2.33
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 58689007) is 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is CC1CCC(N2CCC(N(C)C(=O)N3CCC(N(C)C)C3)C2)CC1.
What is the InChIKey of 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is YLFFDWDPFBDRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-15-5-7-16(8-6-15)22-11-10-18(14-22)21(4)19(24)23-12-9-17(13-23)20(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 336.52 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-methyl-N-[1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58689007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).