(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

C14H27N3O — CID 81464588

IUPAC(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CCCCC2N)CC1N(C)C
InChIInChI=1S/C14H27N3O/c1-10-8-17(9-13(10)16(2)3)14(18)11-6-4-5-7-12(11)15/h10-13H,4-9,15H2,1-3H3
InChIKeyUYHAJBKAQDJSDV-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.91
Rot. Bonds2

About (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone

(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (PubChem CID 81464588) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
PubChem CID81464588
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
SMILESCC1CN(C(=O)C2CCCCC2N)CC1N(C)C
InChIInChI=1S/C14H27N3O/c1-10-8-17(9-13(10)16(2)3)14(18)11-6-4-5-7-12(11)15/h10-13H,4-9,15H2,1-3H3
InChIKeyUYHAJBKAQDJSDV-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464820
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972
(3R)-3-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 96512803
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
7-azabicyclo[2.2.1]heptan-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465332
[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180772
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81451690
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81463935
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 81474906
(3-amino-2-methylcyclohexyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62777748
3-(dimethylamino)-N,4-dimethylpyrrolidine-1-carboxamide
CID 115690689
(2-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 62776127

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone (CID 81464588) is (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is CC1CN(C(=O)C2CCCCC2N)CC1N(C)C.
What is the InChIKey of (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
The InChIKey is UYHAJBKAQDJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10-8-17(9-13(10)16(2)3)14(18)11-6-4-5-7-12(11)15/h10-13H,4-9,15H2,1-3H3.
What are the key properties of (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone?
(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone has a molecular weight of 253.39 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 81464588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).