[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

C19H29ClN2O — CID 120805422

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-19(13-20)11-12-21(14-19)18(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-6,16-17H,7-14,20H2,1H3;1H
InChIKeyXNTZOBFHVFFGIH-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.58
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (PubChem CID 120805422) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
PubChem CID120805422
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-19(13-20)11-12-21(14-19)18(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-6,16-17H,7-14,20H2,1H3;1H
InChIKeyXNTZOBFHVFFGIH-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 120805459
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-benzoylpiperidin-4-yl)methanone
CID 120809229
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(4-phenylcyclohexyl)methanone
CID 71921754
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(benzenesulfonyl)pyrrolidin-2-yl]methanone
CID 120808399
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 120806575
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 120805051
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
[2-(aminomethyl)piperidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 119467930
(4-phenylcyclohexyl)-piperazin-1-ylmethanone
CID 119401928
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3-chlorophenyl)cyclopropyl]methanone
CID 120806411
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride (CID 120805422) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is CC1(CN)CCN(C(=O)C2CCC(c3ccccc3)CC2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
The InChIKey is XNTZOBFHVFFGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-19(13-20)11-12-21(14-19)18(22)17-9-7-16(8-10-17)15-5-3-2-4-6-15;/h2-6,16-17H,7-14,20H2,1H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride is sourced from PubChem (CID 120805422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).