3-(aminomethyl)-3-ethylcyclobutan-1-one

C7H13NO — CID 115011153

IUPAC3-(aminomethyl)-3-ethylcyclobutan-1-one
SMILESCCC1(CN)CC(=O)C1
InChIInChI=1S/C7H13NO/c1-2-7(5-8)3-6(9)4-7/h2-5,8H2,1H3
InChIKeyPOSAIFMFOFCGCW-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.70
Rot. Bonds2

About 3-(aminomethyl)-3-ethylcyclobutan-1-one

3-(aminomethyl)-3-ethylcyclobutan-1-one (PubChem CID 115011153) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(aminomethyl)-3-ethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-ethylcyclobutan-1-one
PubChem CID115011153
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(aminomethyl)-3-ethylcyclobutan-1-one
SMILESCCC1(CN)CC(=O)C1
InChIInChI=1S/C7H13NO/c1-2-7(5-8)3-6(9)4-7/h2-5,8H2,1H3
InChIKeyPOSAIFMFOFCGCW-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Amino-4,4-dimethylpentan-2-one
CID 57114917
4-(Aminomethyl)hexan-2-one
CID 59561758
2-(Aminomethyl)-2-methylcyclobutan-1-one
CID 68948709
1-[1-(Aminomethyl)cyclobutyl]ethan-1-one
CID 116600202
6-Amino-4,4-dimethylhexan-3-one
CID 116916283
5-Amino-3,3-dimethylpentan-2-one
CID 116916288
1-(3-Amino-1-methylcyclobutyl)ethanone
CID 118544999
(4S)-4-(aminomethyl)hexan-2-one
CID 126641321
6-Amino-3,3,5,5-tetramethylhexan-2-one
CID 132036366
6-Amino-2,2,4,4,5,5-hexamethylhexan-3-one
CID 138710397
1-Amino-3,3,5,5-tetramethylhexan-2-one
CID 146527392
2-Amino-1-(3-methyl-1-bicyclo[1.1.1]pentanyl)ethanone
CID 156373940

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-ethylcyclobutan-1-one?
The IUPAC name of 3-(aminomethyl)-3-ethylcyclobutan-1-one (CID 115011153) is 3-(aminomethyl)-3-ethylcyclobutan-1-one.
What is the SMILES notation for 3-(aminomethyl)-3-ethylcyclobutan-1-one?
The canonical SMILES for 3-(aminomethyl)-3-ethylcyclobutan-1-one is CCC1(CN)CC(=O)C1.
What is the InChIKey of 3-(aminomethyl)-3-ethylcyclobutan-1-one?
The InChIKey is POSAIFMFOFCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7(5-8)3-6(9)4-7/h2-5,8H2,1H3.
What are the key properties of 3-(aminomethyl)-3-ethylcyclobutan-1-one?
3-(aminomethyl)-3-ethylcyclobutan-1-one has a molecular weight of 127.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-ethylcyclobutan-1-one is sourced from PubChem (CID 115011153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).