(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride

C12H26ClN3O2 — CID 119818699

IUPAC(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(2)6-10(13)12(17)15(5)7-9(3)11(16)14-4;/h8-10H,6-7,13H2,1-5H3,(H,14,16);1H/t9?,10-;/m0./s1
InChIKeyNRLOUTJLZKZXGM-FTCYEJDNSA-N
MW279.81 g/mol
LogP0.62
Rot. Bonds6

About (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride

(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride (PubChem CID 119818699) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
PubChem CID119818699
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
SMILESCNC(=O)C(C)CN(C)C(=O)[C@@H](N)CC(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(2)6-10(13)12(17)15(5)7-9(3)11(16)14-4;/h8-10H,6-7,13H2,1-5H3,(H,14,16);1H/t9?,10-;/m0./s1
InChIKeyNRLOUTJLZKZXGM-FTCYEJDNSA-N
XLogP0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,2-difluoroethyl)-N,4-dimethylpentanamide
CID 104904051
(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
CID 106915323
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide;hydrochloride
CID 119687384
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 106915366
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N,4-dimethylpentanamide
CID 61154178
methyl 2-[[(2R)-2-amino-4-methylpentanoyl]-methylamino]acetate
CID 104903114
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,4-dimethylpentanamide
CID 104902620
N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride (CID 119818699) is (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride is CNC(=O)C(C)CN(C)C(=O)[C@@H](N)CC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride?
The InChIKey is NRLOUTJLZKZXGM-FTCYEJDNSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-8(2)6-10(13)12(17)15(5)7-9(3)11(16)14-4;/h8-10H,6-7,13H2,1-5H3,(H,14,16);1H/t9?,10-;/m0./s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride?
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride is sourced from PubChem (CID 119818699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).