(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride

C15H33Cl2N3O — CID 119894079

IUPAC(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
SMILESCN(CCC1CCCCN1C)C(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-15(2,3)13(16)14(19)18(5)11-9-12-8-6-7-10-17(12)4;;/h12-13H,6-11,16H2,1-5H3;2*1H/t12?,13-;;/m1../s1
InChIKeyLICFASCQZJULDN-VCNBZBSISA-N
MW342.36 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride

(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119894079) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
PubChem CID119894079
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
SMILESCN(CCC1CCCCN1C)C(=O)[C@@H](N)C(C)(C)C.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-15(2,3)13(16)14(19)18(5)11-9-12-8-6-7-10-17(12)4;;/h12-13H,6-11,16H2,1-5H3;2*1H/t12?,13-;;/m1../s1
InChIKeyLICFASCQZJULDN-VCNBZBSISA-N
XLogP2.54
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
3-(4-hydroxy-2,2-dimethylpentyl)-1-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]urea
CID 111507577
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894059
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
CID 119894091
(2S)-2-amino-N-(cyclohexylmethyl)-N,3,3-trimethylbutanamide;hydrochloride
CID 119704436
(2S)-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 119894086
2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 76988468
3-[tert-butyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoic acid
CID 54926001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride (CID 119894079) is (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride is CN(CCC1CCCCN1C)C(=O)[C@@H](N)C(C)(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is LICFASCQZJULDN-VCNBZBSISA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-15(2,3)13(16)14(19)18(5)11-9-12-8-6-7-10-17(12)4;;/h12-13H,6-11,16H2,1-5H3;2*1H/t12?,13-;;/m1../s1.
What are the key properties of (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride?
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119894079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).