[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone

C13H23NO — CID 130649723

IUPAC[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
SMILESNC[C@@H]1CCC[C@@H]1C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO/c14-9-11-7-4-8-12(11)13(15)10-5-2-1-3-6-10/h10-12H,1-9,14H2/t11-,12-/m0/s1
InChIKeyUQRMGOHIKRDOGG-RYUDHWBXSA-N
MW209.33 g/mol
LogP2.51
Rot. Bonds3

About [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone

[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone (PubChem CID 130649723) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone.

Molecular Properties

Compound Name[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
PubChem CID130649723
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone
SMILESNC[C@@H]1CCC[C@@H]1C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO/c14-9-11-7-4-8-12(11)13(15)10-5-2-1-3-6-10/h10-12H,1-9,14H2/t11-,12-/m0/s1
InChIKeyUQRMGOHIKRDOGG-RYUDHWBXSA-N
XLogP2.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(4-ethylcyclohexyl)methanone
CID 116584644
(2-aminocycloheptyl)-cyclopentylmethanone
CID 116595079
(2-aminocyclohexyl)-cycloheptylmethanone
CID 116580013
1-[2-(aminomethyl)cyclopentyl]-2-cyclohexylethanone
CID 116584345
1-[(1R,2S)-2-(aminomethyl)cyclopentyl]ethanone
CID 131112690
[(1R,2S)-2-(aminomethyl)cyclopentyl]-pyrrolidin-1-ylmethanone
CID 131010813
(2-aminocycloheptyl)-cyclopropylmethanone
CID 116595315
trans-methyl (1S,2R)-2-(aminomethyl)cyclopentane-1-carboxylate
CID 84716638
2-(aminomethyl)-N-(2-amino-2-oxoethoxy)cyclohexane-1-carboxamide
CID 112674216
methyl 2-(aminomethyl)cyclohexane-1-carboxylate;hydrobromide
CID 173135455
1-[2-(aminomethyl)cyclopentyl]but-3-en-1-one
CID 116584185
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 79363022

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone?
The IUPAC name of [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone (CID 130649723) is [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone.
What is the SMILES notation for [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone?
The canonical SMILES for [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone is NC[C@@H]1CCC[C@@H]1C(=O)C1CCCCC1.
What is the InChIKey of [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone?
The InChIKey is UQRMGOHIKRDOGG-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H23NO/c14-9-11-7-4-8-12(11)13(15)10-5-2-1-3-6-10/h10-12H,1-9,14H2/t11-,12-/m0/s1.
What are the key properties of [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone?
[(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone has a molecular weight of 209.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(aminomethyl)cyclopentyl]-cyclohexylmethanone is sourced from PubChem (CID 130649723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).