2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

C16H31N3O — CID 106592896

IUPAC2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)C1)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O/c1-12(14-5-4-6-15(17)9-14)16(20)19(3)11-13-7-8-18(2)10-13/h12-15H,4-11,17H2,1-3H3
InChIKeyLAJRWQFYDGJMDP-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.55
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide

2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 106592896) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
PubChem CID106592896
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)N(C)CC1CCN(C)C1)C1CCCC(N)C1
InChIInChI=1S/C16H31N3O/c1-12(14-5-4-6-15(17)9-14)16(20)19(3)11-13-7-8-18(2)10-13/h12-15H,4-11,17H2,1-3H3
InChIKeyLAJRWQFYDGJMDP-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 106592894
2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592732
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
CID 106593084
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
3-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 64894600
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pentanamide
CID 55172014
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 170730006

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide (CID 106592896) is 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is CC(C(=O)N(C)CC1CCN(C)C1)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is LAJRWQFYDGJMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(14-5-4-6-15(17)9-14)16(20)19(3)11-13-7-8-18(2)10-13/h12-15H,4-11,17H2,1-3H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide?
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 106592896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).