1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide

C13H25N3O — CID 165476856

IUPAC1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C13H25N3O/c1-9(2)10(3)15-12(17)16-7-5-11-4-6-13(11,16)8-14/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyPIMPVDZKKYMZQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.55
Rot. Bonds3

About 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide

1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide (PubChem CID 165476856) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
PubChem CID165476856
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide
SMILESCC(C)C(C)NC(=O)N1CCC2CCC21CN
InChIInChI=1S/C13H25N3O/c1-9(2)10(3)15-12(17)16-7-5-11-4-6-13(11,16)8-14/h9-11H,4-8,14H2,1-3H3,(H,15,17)
InChIKeyPIMPVDZKKYMZQX-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
N-propyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196372
N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196371
N-[1-(ethylcarbamoyl)pyrrolidin-3-yl]-4-methylazepane-1-carboxamide
CID 71969300
2-cyclobutyl-N-(1-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 72023915
(2R)-N-propan-2-yl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 164633952
4-(1-Ethylpentyl)-2-imidazolidinone
CID 129879334
(1R,5S)-1-amino-N-(3,3-difluorocyclobutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016472
(1R,5S)-1-amino-N-[(4,4-difluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016483
(1R,5S)-1-amino-N-[(4-fluorocyclohexyl)methyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016529
(1R,5S)-1-amino-N-[2-ethyl-2-(trifluoromethyl)butyl]-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016562
(1R,5S)-1-amino-N-(3,3-difluoro-2,2-dimethylbutyl)-3-azabicyclo[3.2.0]heptane-3-carboxamide
CID 138016565

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide (CID 165476856) is 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide is CC(C)C(C)NC(=O)N1CCC2CCC21CN.
What is the InChIKey of 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide?
The InChIKey is PIMPVDZKKYMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9(2)10(3)15-12(17)16-7-5-11-4-6-13(11,16)8-14/h9-11H,4-8,14H2,1-3H3,(H,15,17).
What are the key properties of 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide?
1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-methylbutan-2-yl)-2-azabicyclo[3.2.0]heptane-2-carboxamide is sourced from PubChem (CID 165476856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).