(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C15H29N3O — CID 81465581

IUPAC(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)(C(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C15H29N3O/c1-11-6-5-7-15(16,8-11)14(19)18-9-12(2)13(10-18)17(3)4/h11-13H,5-10,16H2,1-4H3
InChIKeyYMRHEGWGQCBOEI-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds2

About (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81465581) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81465581
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CCCC(N)(C(=O)N2CC(C)C(N(C)C)C2)C1
InChIInChI=1S/C15H29N3O/c1-11-6-5-7-15(16,8-11)14(19)18-9-12(2)13(10-18)17(3)4/h11-13H,5-10,16H2,1-4H3
InChIKeyYMRHEGWGQCBOEI-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
[1-(aminomethyl)cyclohexyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81463790
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
(1-aminocyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119328203
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81465581) is (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CCCC(N)(C(=O)N2CC(C)C(N(C)C)C2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is YMRHEGWGQCBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-6-5-7-15(16,8-11)14(19)18-9-12(2)13(10-18)17(3)4/h11-13H,5-10,16H2,1-4H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81465581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).