1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one

C11H20N2O — CID 165459008

IUPAC1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCCC2CC21CN
InChIInChI=1S/C11H20N2O/c1-2-4-10(14)13-6-3-5-9-7-11(9,13)8-12/h9H,2-8,12H2,1H3
InChIKeyFZKYHFSNRBUWSY-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.13
Rot. Bonds3

About 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one

1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one (PubChem CID 165459008) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one
PubChem CID165459008
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one
SMILESCCCC(=O)N1CCCC2CC21CN
InChIInChI=1S/C11H20N2O/c1-2-4-10(14)13-6-3-5-9-7-11(9,13)8-12/h9H,2-8,12H2,1H3
InChIKeyFZKYHFSNRBUWSY-UHFFFAOYSA-N
XLogP1.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-aminoethyl)piperidin-1-yl]butan-1-one
CID 63754291
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
1-(4-amino-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 83699578
1-(2-aminopyrrolidin-1-yl)butan-1-one
CID 138613238
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
1-[2-(2-aminoethyl)pyrrolidin-1-yl]heptan-1-one
CID 90749675
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
1-[4-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 95194090
(2S)-2-(2-butanoyloxyethyl)pyrrolidine-1-carboxylic acid
CID 54001407
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-butanoylpyrrolidine-2-carbaldehyde
CID 19783440

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one?
The IUPAC name of 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one (CID 165459008) is 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one is CCCC(=O)N1CCCC2CC21CN.
What is the InChIKey of 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one?
The InChIKey is FZKYHFSNRBUWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-4-10(14)13-6-3-5-9-7-11(9,13)8-12/h9H,2-8,12H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one?
1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2-azabicyclo[4.1.0]heptan-2-yl]butan-1-one is sourced from PubChem (CID 165459008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).