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

C18H34N4O — CID 58688973

IUPAC(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C18H34N4O/c1-14-4-6-16(7-5-14)21-11-9-17(13-21)20(3)18(23)22-10-8-15(12-22)19-2/h14-17,19H,4-13H2,1-3H3/t14?,15-,16?,17+/m0/s1
InChIKeyJNWFSPJHLMTBFP-ODZFXCKXSA-N
MW322.50 g/mol
LogP1.98
Rot. Bonds3

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

(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 58688973) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID58688973
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)CC3)C2)C1
InChIInChI=1S/C18H34N4O/c1-14-4-6-16(7-5-14)21-11-9-17(13-21)20(3)18(23)22-10-8-15(12-22)19-2/h14-17,19H,4-13H2,1-3H3/t14?,15-,16?,17+/m0/s1
InChIKeyJNWFSPJHLMTBFP-ODZFXCKXSA-N
XLogP1.98
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 58688973) is (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is CN[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)CC3)C2)C1.
What is the InChIKey of (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is JNWFSPJHLMTBFP-ODZFXCKXSA-N. The full InChI is InChI=1S/C18H34N4O/c1-14-4-6-16(7-5-14)21-11-9-17(13-21)20(3)18(23)22-10-8-15(12-22)19-2/h14-17,19H,4-13H2,1-3H3/t14?,15-,16?,17+/m0/s1.
What are the key properties of (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
(3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(methylamino)-N-[(3R)-1-(4-methylcyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58688973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).