[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride

C12H23ClN2O — CID 119260304

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C12H22N2O.ClH/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11;/h10-11H,1-9,13H2;1H
InChIKeyBQJCWHPUKCDTOW-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.80
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 119260304) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID119260304
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C12H22N2O.ClH/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11;/h10-11H,1-9,13H2;1H
InChIKeyBQJCWHPUKCDTOW-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[3-(aminomethyl)pyrrolidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119485245
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119483653
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 119260296
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride (CID 119260304) is [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride is Cl.NCC1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is BQJCWHPUKCDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c13-8-10-6-7-14(9-10)12(15)11-4-2-1-3-5-11;/h10-11H,1-9,13H2;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 119260304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).