(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C16H29N3O — CID 63174686

IUPAC(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCC1C(N)CCCC1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H29N3O/c1-12-14(5-4-6-15(12)17)16(20)19-10-7-13(11-19)18-8-2-3-9-18/h12-15H,2-11,17H2,1H3
InChIKeyQGEOETCOVCCNMA-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.45
Rot. Bonds2

About (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 63174686) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID63174686
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESCC1C(N)CCCC1C(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C16H29N3O/c1-12-14(5-4-6-15(12)17)16(20)19-10-7-13(11-19)18-8-2-3-9-18/h12-15H,2-11,17H2,1H3
InChIKeyQGEOETCOVCCNMA-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2-methylcyclohexyl)methanone
CID 62781364
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79186972
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629300
(2-aminocyclohexyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63154703
(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63175044
(3-amino-2-methylcyclohexyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62777748
(2-aminocyclopropyl)-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 114994976
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
methyl 2-(3-piperidin-1-ylpiperidine-1-carbonyl)cyclopentane-1-carboxylate
CID 75473055
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(4-amino-3-methylcyclohexyl)methanone
CID 79937040

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 63174686) is (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is CC1C(N)CCCC1C(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is QGEOETCOVCCNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12-14(5-4-6-15(12)17)16(20)19-10-7-13(11-19)18-8-2-3-9-18/h12-15H,2-11,17H2,1H3.
What are the key properties of (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 279.43 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 63174686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).