2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide

C15H31N3O — CID 125118083

IUPAC2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1
InChIInChI=1S/C15H31N3O/c1-6-15(7-2,11-16)14(19)18(5)13-8-9-17(4)12(3)10-13/h12-13H,6-11,16H2,1-5H3/t12-,13+/m1/s1
InChIKeyDEFYUULXLSEVAW-OLZOCXBDSA-N
MW269.43 g/mol
LogP1.69
Rot. Bonds5

About 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide

2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide (PubChem CID 125118083) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
PubChem CID125118083
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(CN)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1
InChIInChI=1S/C15H31N3O/c1-6-15(7-2,11-16)14(19)18(5)13-8-9-17(4)12(3)10-13/h12-13H,6-11,16H2,1-5H3/t12-,13+/m1/s1
InChIKeyDEFYUULXLSEVAW-OLZOCXBDSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-N-methyl-N-(1-propylpiperidin-4-yl)butanamide
CID 115432234
2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
CID 119893712
(2S)-2-amino-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methyl-4-methylsulfanylbutanamide
CID 125146497
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-N-methyloxane-4-carboxamide;dihydrochloride
CID 120942328
4-[[2-(aminomethyl)-2-ethylbutanoyl]-methylamino]oxolane-3-carboxylic acid
CID 115432637
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
3-[(1,2-dimethylpiperidin-4-yl)-methylamino]propanoic acid
CID 79670643
(2S)-N-[(2S,4R)-1,2-dimethylpiperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 124693314
2-(aminomethyl)-N-(cyclohexylmethyl)-N-cyclopropyl-2-ethylbutanamide
CID 115432159
2-(aminomethyl)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-ethylbutanamide
CID 115432203
N-(1,2-dimethylpiperidin-4-yl)-N-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 122148359
(2R)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-N-methylpiperidine-2-carboxamide
CID 125119897

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide (CID 125118083) is 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide is CCC(CC)(CN)C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1.
What is the InChIKey of 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide?
The InChIKey is DEFYUULXLSEVAW-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-15(7-2,11-16)14(19)18(5)13-8-9-17(4)12(3)10-13/h12-13H,6-11,16H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide?
2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide has a molecular weight of 269.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2R,4S)-1,2-dimethylpiperidin-4-yl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 125118083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).