1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone

C14H25NO — CID 116602062

IUPAC1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
SMILESNCC1(C(=O)CC2CCC2)CCCCCC1
InChIInChI=1S/C14H25NO/c15-11-14(8-3-1-2-4-9-14)13(16)10-12-6-5-7-12/h12H,1-11,15H2
InChIKeyNQEJRFFSTMENHD-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.05
Rot. Bonds4

About 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone

1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone (PubChem CID 116602062) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone.

Molecular Properties

Compound Name1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
PubChem CID116602062
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
SMILESNCC1(C(=O)CC2CCC2)CCCCCC1
InChIInChI=1S/C14H25NO/c15-11-14(8-3-1-2-4-9-14)13(16)10-12-6-5-7-12/h12H,1-11,15H2
InChIKeyNQEJRFFSTMENHD-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-2-cyclopropylethanone
CID 116601042
2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114967627
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 106203040
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
1-[1-(aminomethyl)cyclopentyl]propan-1-one
CID 116600810
1-[1-(aminomethyl)cyclobutyl]propan-1-one
CID 116600219
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone?
The IUPAC name of 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone (CID 116602062) is 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone.
What is the SMILES notation for 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone?
The canonical SMILES for 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone is NCC1(C(=O)CC2CCC2)CCCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone?
The InChIKey is NQEJRFFSTMENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c15-11-14(8-3-1-2-4-9-14)13(16)10-12-6-5-7-12/h12H,1-11,15H2.
What are the key properties of 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone?
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone has a molecular weight of 223.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone is sourced from PubChem (CID 116602062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).