(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide

C12H26N2O — CID 104902610

IUPAC(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
SMILESCCC(C)N(CC)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(5)14(7-2)12(15)11(13)8-9(3)4/h9-11H,6-8,13H2,1-5H3/t10?,11-/m1/s1
InChIKeyDNWKRLICLHYBSY-RRKGBCIJSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide

(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide (PubChem CID 104902610) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
PubChem CID104902610
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide
SMILESCCC(C)N(CC)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H26N2O/c1-6-10(5)14(7-2)12(15)11(13)8-9(3)4/h9-11H,6-8,13H2,1-5H3/t10?,11-/m1/s1
InChIKeyDNWKRLICLHYBSY-RRKGBCIJSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
2-amino-N,N-diethyl-4-methylpentanamide
CID 24697294
(2S)-2-amino-N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylpentanamide
CID 54999112
(2S)-2-amino-N-(1-hydroxypropan-2-yl)-N,4-dimethylpentanamide
CID 104551700
2-amino-N-butan-2-yl-N-ethyl-5-methoxypentanamide
CID 81082232
(2R)-2-amino-4-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 93372320
2-amino-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpentanamide
CID 43579455
(2S)-2-amino-N-(2-amino-2-oxoethyl)-4-methyl-N-propan-2-ylpentanamide
CID 61154043
2-amino-N,4-dimethylpentanehydrazide
CID 116848873
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)pentanamide
CID 112659073
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
(2S)-2-amino-N-butan-2-yl-3-(3,4-dihydroxyphenyl)-N-ethylpropanamide
CID 61154165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide (CID 104902610) is (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide is CCC(C)N(CC)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide?
The InChIKey is DNWKRLICLHYBSY-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-10(5)14(7-2)12(15)11(13)8-9(3)4/h9-11H,6-8,13H2,1-5H3/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide?
(2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butan-2-yl-N-ethyl-4-methylpentanamide is sourced from PubChem (CID 104902610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).