1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one

C13H17NO — CID 116601238

IUPAC1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one
SMILESNCC1(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c14-10-13(8-9-13)12(15)7-6-11-4-2-1-3-5-11/h1-5H,6-10,14H2
InChIKeyBLCIUUZEYLGFJQ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.93
Rot. Bonds5

About 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one

1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one (PubChem CID 116601238) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one
PubChem CID116601238
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one
SMILESNCC1(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C13H17NO/c14-10-13(8-9-13)12(15)7-6-11-4-2-1-3-5-11/h1-5H,6-10,14H2
InChIKeyBLCIUUZEYLGFJQ-UHFFFAOYSA-N
XLogP1.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
CID 115453414
carbonic acid;3-phenylpropanamide
CID 174965682
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 116750377
1-(4-phenylbutyl)cyclopropane-1-carboxylic acid
CID 114334160
lanthanum;3-phenylpropanoic acid
CID 174887955
3-phenylpropyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440250
1-(aminomethyl)-N-benzyl-N-(cyanomethyl)cyclopropane-1-carboxamide
CID 115452974
2-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 115452993
ethane;3-phenylpropanoyl chloride
CID 90742356
carbanide;3-phenylpropanamide;yttrium
CID 160557542
1-benzylcyclopropane-1-carboxylic acid
CID 562561
1-[1-(aminomethyl)cyclopropyl]-2-(4-fluorophenyl)ethanone
CID 116601171

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one (CID 116601238) is 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one is NCC1(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one?
The InChIKey is BLCIUUZEYLGFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-10-13(8-9-13)12(15)7-6-11-4-2-1-3-5-11/h1-5H,6-10,14H2.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one?
1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one has a molecular weight of 203.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-3-phenylpropan-1-one is sourced from PubChem (CID 116601238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).