3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride

C16H32ClN3O — CID 120772694

IUPAC3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)NCC2CCCCC2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-16(12-17)8-10-19(13-16)9-7-15(20)18-11-14-5-3-2-4-6-14;/h14H,2-13,17H2,1H3,(H,18,20);1H
InChIKeyGBKGUDWGNRDJNZ-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.17
Rot. Bonds6

About 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride

3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride (PubChem CID 120772694) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
PubChem CID120772694
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride
SMILESCC1(CN)CCN(CCC(=O)NCC2CCCCC2)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-16(12-17)8-10-19(13-16)9-7-15(20)18-11-14-5-3-2-4-6-14;/h14H,2-13,17H2,1H3,(H,18,20);1H
InChIKeyGBKGUDWGNRDJNZ-UHFFFAOYSA-N
XLogP2.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120805178
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-phenylpropanamide
CID 120771754
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
CID 120772051
4-[3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]propanoylamino]benzamide;hydrochloride
CID 120772509
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 120772197
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[cyclohexyl(phenyl)methyl]acetamide;hydrochloride
CID 120773094
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-cyclopentylbutan-1-one;hydrochloride
CID 120805428
N-(cyclohexylmethyl)-3-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111489377
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-(cyclopropylmethyl)-2-[(1-methylcyclopentyl)methylamino]acetamide
CID 63821683

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride (CID 120772694) is 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride is CC1(CN)CCN(CCC(=O)NCC2CCCCC2)C1.Cl.
What is the InChIKey of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride?
The InChIKey is GBKGUDWGNRDJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-16(12-17)8-10-19(13-16)9-7-15(20)18-11-14-5-3-2-4-6-14;/h14H,2-13,17H2,1H3,(H,18,20);1H.
What are the key properties of 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride?
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclohexylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 120772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).