[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C12H22N2O2 — CID 94895786

IUPAC[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2CC[C@H](O)C2)CCCCC1
InChIInChI=1S/C12H22N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1
InChIKeyRMJMIZNGBXQXFK-JTQLQIEISA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 94895786) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID94895786
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESNCC1(C(=O)N2CC[C@H](O)C2)CCCCC1
InChIInChI=1S/C12H22N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1
InChIKeyRMJMIZNGBXQXFK-JTQLQIEISA-N
XLogP0.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
CID 115444265
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 79938168
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-methylcycloheptyl)methanone
CID 110027381
(1-ethylcyclopentyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224848
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
(1-aminocyclobutyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217407
[1-(aminomethyl)cyclopentyl]-[3-(dimethylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119874483
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 94895786) is [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is NCC1(C(=O)N2CC[C@H](O)C2)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is RMJMIZNGBXQXFK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-12(5-2-1-3-6-12)11(16)14-7-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1.
What are the key properties of [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 94895786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).