(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone

C11H18N2O — CID 164652443

IUPAC(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CC3CC2C3N)C1
InChIInChI=1S/C11H18N2O/c1-6-2-7(3-6)11(14)13-5-8-4-9(13)10(8)12/h6-10H,2-5,12H2,1H3
InChIKeyYKOJXPRNPXJORJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.59
Rot. Bonds1

About (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone

(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone (PubChem CID 164652443) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
PubChem CID164652443
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone
SMILESCC1CC(C(=O)N2CC3CC2C3N)C1
InChIInChI=1S/C11H18N2O/c1-6-2-7(3-6)11(14)13-5-8-4-9(13)10(8)12/h6-10H,2-5,12H2,1H3
InChIKeyYKOJXPRNPXJORJ-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 131091392
1-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-2-methoxypropan-1-one
CID 131015209
[3-(bromomethyl)-2-methylpyrrolidin-1-yl]-(3-methylcyclobutyl)methanone
CID 164660245
[(3S)-7-(5-aminopiperazin-2-yl)-4-(cyclopropanecarbonyl)-3-methyl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-cyclopropylmethanone
CID 140684631
2-(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-N-methylpropanamide
CID 130874740
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,5-diethylpiperazin-1-yl]ethanone;hydrochloride
CID 120991549
1-[(1S,4S,7S)-7-amino-2-azabicyclo[2.2.1]heptan-2-yl]-2-(5-methyl-1,4-thiazepan-4-yl)ethane-1,2-dione
CID 166303560
3-methylcyclobutane-1-carboxylic acid
CID 3044406
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
(3-aminocyclobutyl)-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 164660918
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740
N-hydroxy-3,5-dimethylcyclohexane-1-carboxamide
CID 131134005

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone?
The IUPAC name of (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone (CID 164652443) is (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone.
What is the SMILES notation for (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone?
The canonical SMILES for (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone is CC1CC(C(=O)N2CC3CC2C3N)C1.
What is the InChIKey of (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone?
The InChIKey is YKOJXPRNPXJORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-2-7(3-6)11(14)13-5-8-4-9(13)10(8)12/h6-10H,2-5,12H2,1H3.
What are the key properties of (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone?
(5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone has a molecular weight of 194.28 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-azabicyclo[2.1.1]hexan-2-yl)-(3-methylcyclobutyl)methanone is sourced from PubChem (CID 164652443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).