(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

C15H29N3O — CID 103814097

IUPAC(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCCC(CNC(=O)[C@H]2CCCN2)(N(C)C)C1
InChIInChI=1S/C15H29N3O/c1-12-6-4-8-15(10-12,18(2)3)11-17-14(19)13-7-5-9-16-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12?,13-,15?/m1/s1
InChIKeySEZVTISBJRDEKB-JVWICGRDSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 103814097) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID103814097
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCCC(CNC(=O)[C@H]2CCCN2)(N(C)C)C1
InChIInChI=1S/C15H29N3O/c1-12-6-4-8-15(10-12,18(2)3)11-17-14(19)13-7-5-9-16-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12?,13-,15?/m1/s1
InChIKeySEZVTISBJRDEKB-JVWICGRDSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861113
(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119682228
N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119885272
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 63045578
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylpiperidine-3-carboxamide
CID 105418341
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946772
4-methyl-1-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104901353
(2S)-N-[(1-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 63829240
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 103814097) is (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide is CC1CCCC(CNC(=O)[C@H]2CCCN2)(N(C)C)C1.
What is the InChIKey of (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SEZVTISBJRDEKB-JVWICGRDSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-6-4-8-15(10-12,18(2)3)11-17-14(19)13-7-5-9-16-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12?,13-,15?/m1/s1.
What are the key properties of (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 103814097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).