(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide

C11H25N3O — CID 107569740

IUPAC(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H25N3O/c1-5-7-10(12)11(15)14(4)9-6-8-13(2)3/h10H,5-9,12H2,1-4H3/t10-/m0/s1
InChIKeyURPCZPINMQVRIA-JTQLQIEISA-N
MW215.34 g/mol
LogP0.52
Rot. Bonds7

About (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide

(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide (PubChem CID 107569740) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
PubChem CID107569740
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCCN(C)C
InChIInChI=1S/C11H25N3O/c1-5-7-10(12)11(15)14(4)9-6-8-13(2)3/h10H,5-9,12H2,1-4H3/t10-/m0/s1
InChIKeyURPCZPINMQVRIA-JTQLQIEISA-N
XLogP0.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(dimethylamino)-N-methyl-N-propylhexanamide;ethane
CID 145098221
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methyl-4-methylsulfanylbutanamide
CID 63693500
(2R)-2-amino-N-methyl-N-pent-4-enylpentanamide
CID 103797423
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
2-amino-N-butyl-N-methylheptanamide;hydrochloride
CID 140973823
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]pentanamide
CID 119298348
2-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpentanamide
CID 119344793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide (CID 107569740) is (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)CCCN(C)C.
What is the InChIKey of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide?
The InChIKey is URPCZPINMQVRIA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-7-10(12)11(15)14(4)9-6-8-13(2)3/h10H,5-9,12H2,1-4H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide?
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 0.52, 7 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-(dimethylamino)propyl]-N-methylpentanamide is sourced from PubChem (CID 107569740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).