1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one

C10H19NO — CID 98010324

IUPAC1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@@H](CN)C1
InChIInChI=1S/C10H19NO/c1-8(12)5-9-3-2-4-10(6-9)7-11/h9-10H,2-7,11H2,1H3/t9-,10+/m0/s1
InChIKeyCPFHMWOMFJHFEN-VHSXEESVSA-N
MW169.27 g/mol
LogP1.73
Rot. Bonds3

About 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one

1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one (PubChem CID 98010324) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
PubChem CID98010324
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one
SMILESCC(=O)C[C@@H]1CCC[C@@H](CN)C1
InChIInChI=1S/C10H19NO/c1-8(12)5-9-3-2-4-10(6-9)7-11/h9-10H,2-7,11H2,1H3/t9-,10+/m0/s1
InChIKeyCPFHMWOMFJHFEN-VHSXEESVSA-N
XLogP1.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-methylcyclohexyl]propan-2-one
CID 130348727
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
1-cyclohexadecylpropan-2-one
CID 175123721
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
[3-(aminomethyl)cyclohexyl]methanamine;benzene-1,4-dicarboxamide
CID 121330510
carbonyl dichloride;cyclopentylmethanamine
CID 175500513
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide
CID 87717758
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
(3-methylcyclohexyl)methanamine
CID 18361468

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one?
The IUPAC name of 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one (CID 98010324) is 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one.
What is the SMILES notation for 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one?
The canonical SMILES for 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one is CC(=O)C[C@@H]1CCC[C@@H](CN)C1.
What is the InChIKey of 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one?
The InChIKey is CPFHMWOMFJHFEN-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(12)5-9-3-2-4-10(6-9)7-11/h9-10H,2-7,11H2,1H3/t9-,10+/m0/s1.
What are the key properties of 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one?
1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one has a molecular weight of 169.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-(aminomethyl)cyclohexyl]propan-2-one is sourced from PubChem (CID 98010324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).