1-[(1R,2R)-2-aminocyclohexyl]propan-2-one

C9H17NO — CID 178190892

IUPAC1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
SMILESCC(=O)C[C@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17NO/c1-7(11)6-8-4-2-3-5-9(8)10/h8-9H,2-6,10H2,1H3/t8-,9-/m1/s1
InChIKeyVXVUECOAAPGHNR-RKDXNWHRSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds2

About 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one

1-[(1R,2R)-2-aminocyclohexyl]propan-2-one (PubChem CID 178190892) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one.

Molecular Properties

Compound Name1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
PubChem CID178190892
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
SMILESCC(=O)C[C@H]1CCCC[C@H]1N
InChIInChI=1S/C9H17NO/c1-7(11)6-8-4-2-3-5-9(8)10/h8-9H,2-6,10H2,1H3/t8-,9-/m1/s1
InChIKeyVXVUECOAAPGHNR-RKDXNWHRSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylcyclohexyl)propan-2-one
CID 79429645
2-(2-aminocyclohexyl)-N,N-dimethylacetamide
CID 62781478
2-(2-aminocyclohexyl)-N-cyclopentyl-N-methylacetamide
CID 62782509
acetic acid;trans-(1R,2R)-cyclohexane-1,2-diamine
CID 159991522
acetic acid;cyclohexane-1,2-diamine
CID 67321744
1-(3-aminothian-4-yl)propan-2-one
CID 115014220
methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
CID 105447728
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-(2-aminocyclohexyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 62778099
2-(2-aminocyclohexyl)-N,N-dibutylacetamide
CID 62781493
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
1-cyclohexadecylpropan-2-one
CID 175123721

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one?
The IUPAC name of 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one (CID 178190892) is 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one.
What is the SMILES notation for 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one?
The canonical SMILES for 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one is CC(=O)C[C@H]1CCCC[C@H]1N.
What is the InChIKey of 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one?
The InChIKey is VXVUECOAAPGHNR-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(11)6-8-4-2-3-5-9(8)10/h8-9H,2-6,10H2,1H3/t8-,9-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one?
1-[(1R,2R)-2-aminocyclohexyl]propan-2-one has a molecular weight of 155.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-aminocyclohexyl]propan-2-one is sourced from PubChem (CID 178190892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).