2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one

C9H17NO — CID 116574057

IUPAC2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)C1CC1
InChIInChI=1S/C9H17NO/c1-6(2)8(5-10)9(11)7-3-4-7/h6-8H,3-5,10H2,1-2H3
InChIKeySOWJEVVQYZNNRL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.20
Rot. Bonds4

About 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one

2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one (PubChem CID 116574057) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
PubChem CID116574057
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one
SMILESCC(C)C(CN)C(=O)C1CC1
InChIInChI=1S/C9H17NO/c1-6(2)8(5-10)9(11)7-3-4-7/h6-8H,3-5,10H2,1-2H3
InChIKeySOWJEVVQYZNNRL-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(hydroxymethyl)-3-methylbutan-1-one
CID 116923369
1-cyclopentyl-2-ethyl-3-methylbutan-1-one
CID 134474647
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
3-(aminomethyl)-1-cyclopropyl-4-methylpentan-2-one
CID 116574051
(2S)-2-amino-1-cyclopropyl-3-methylbutan-1-one
CID 59677798
3-amino-1-cyclopropyl-2-hydroxypropan-1-one
CID 89038841
1-cyclohexyl-3-methyl-2-(methylaminomethyl)butan-1-one
CID 116923569
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 65227239
(2S)-1-cyclopropyl-2-hydroxypropan-1-one
CID 124679592
(4,4-dimethylcyclohexyl) 2-(aminomethyl)-3-methylbutanoate
CID 114341387
1-cyclopropyl-2-methylbut-3-en-1-one
CID 15467074

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one (CID 116574057) is 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one is CC(C)C(CN)C(=O)C1CC1.
What is the InChIKey of 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one?
The InChIKey is SOWJEVVQYZNNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)8(5-10)9(11)7-3-4-7/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one?
2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-cyclopropyl-3-methylbutan-1-one is sourced from PubChem (CID 116574057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).