3-amino-1,3-dicyclopropylpropan-1-one

C9H15NO — CID 116608894

IUPAC3-amino-1,3-dicyclopropylpropan-1-one
SMILESNC(CC(=O)C1CC1)C1CC1
InChIInChI=1S/C9H15NO/c10-8(6-1-2-6)5-9(11)7-3-4-7/h6-8H,1-5,10H2
InChIKeyNJFFSCBLFQJPDN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-1,3-dicyclopropylpropan-1-one

3-amino-1,3-dicyclopropylpropan-1-one (PubChem CID 116608894) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-amino-1,3-dicyclopropylpropan-1-one.

Molecular Properties

Compound Name3-amino-1,3-dicyclopropylpropan-1-one
PubChem CID116608894
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-amino-1,3-dicyclopropylpropan-1-one
SMILESNC(CC(=O)C1CC1)C1CC1
InChIInChI=1S/C9H15NO/c10-8(6-1-2-6)5-9(11)7-3-4-7/h6-8H,1-5,10H2
InChIKeyNJFFSCBLFQJPDN-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-cyclopropyl-1-(4-ethylcyclohexyl)propan-1-one
CID 116608822
3-amino-3-cyclopropylpropanoic acid;hydrochloride
CID 155887796
1-amino-1-cyclopropyl-5-methylhexan-3-one
CID 116608690
(3R)-3-amino-3-(4-tert-butylcyclohexyl)propanoic acid
CID 104941123
methyl 3-amino-3-cyclopropylpropanoate;hydrochloride
CID 71755746
ethoxycarbonyl 3-amino-3-cyclopropylpropanoate
CID 174865263
3-methyl-1-(4-propan-2-ylcyclohexyl)pentan-1-one
CID 65424663
3-amino-3-cyclopropyl-N',N'-dimethylpropanehydrazide
CID 83020966
3-amino-3-cyclooctylpropanoate
CID 22987137
3-amino-1-cyclopropyl-3-phenylpropan-1-one
CID 116553143
lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
CID 174434398
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,3-dicyclopropylpropan-1-one?
The IUPAC name of 3-amino-1,3-dicyclopropylpropan-1-one (CID 116608894) is 3-amino-1,3-dicyclopropylpropan-1-one.
What is the SMILES notation for 3-amino-1,3-dicyclopropylpropan-1-one?
The canonical SMILES for 3-amino-1,3-dicyclopropylpropan-1-one is NC(CC(=O)C1CC1)C1CC1.
What is the InChIKey of 3-amino-1,3-dicyclopropylpropan-1-one?
The InChIKey is NJFFSCBLFQJPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-8(6-1-2-6)5-9(11)7-3-4-7/h6-8H,1-5,10H2.
What are the key properties of 3-amino-1,3-dicyclopropylpropan-1-one?
3-amino-1,3-dicyclopropylpropan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,3-dicyclopropylpropan-1-one is sourced from PubChem (CID 116608894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).