N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide

C15H29N3O — CID 55231312

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C15H29N3O/c1-12-9-16-10-13(12)14(19)17-11-15(18(2)3)7-5-4-6-8-15/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyOPDLIMORDFTDSN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.22
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide

N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 55231312) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID55231312
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)NCC1(N(C)C)CCCCC1
InChIInChI=1S/C15H29N3O/c1-12-9-16-10-13(12)14(19)17-11-15(18(2)3)7-5-4-6-8-15/h12-13,16H,4-11H2,1-3H3,(H,17,19)
InChIKeyOPDLIMORDFTDSN-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylcyclopropyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822212
(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918491
6-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 83108655
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methylpiperidine-3-carboxamide
CID 105418341
(1S,6R)-6-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 105414269
6-[[1-(dimethylamino)cyclobutyl]methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 105414256
5-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688874
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 75537852
(2S)-N-[[1-(dimethylamino)cyclohexyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119682228
N-[[1-(dimethylamino)cyclohexyl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154912244
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide
CID 83112481

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide (CID 55231312) is N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)NCC1(N(C)C)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is OPDLIMORDFTDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-9-16-10-13(12)14(19)17-11-15(18(2)3)7-5-4-6-8-15/h12-13,16H,4-11H2,1-3H3,(H,17,19).
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide?
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55231312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).