(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide

C12H26N2O — CID 61173173

IUPAC(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C12H26N2O/c1-6-8-10(4)14(5)12(15)11(13)9(3)7-2/h9-11H,6-8,13H2,1-5H3/t9?,10?,11-/m0/s1
InChIKeyZQDNAFAYURWKTF-ILDUYXDCSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds6

About (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide

(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide (PubChem CID 61173173) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
PubChem CID61173173
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
SMILESCCCC(C)N(C)C(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C12H26N2O/c1-6-8-10(4)14(5)12(15)11(13)9(3)7-2/h9-11H,6-8,13H2,1-5H3/t9?,10?,11-/m0/s1
InChIKeyZQDNAFAYURWKTF-ILDUYXDCSA-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

(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylbutanamide
CID 61154897
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
2-amino-N,3-dimethyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 54874148
(2S)-2-amino-3-methylpentanamide
CID 10290817
ethyl 3,3-dimethyl-2-[methyl(pentan-2-yl)carbamoyl]butanoate
CID 116537775
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
(2R)-2-amino-N,3-dimethyl-N-pentan-3-ylbutanamide
CID 79011778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide (CID 61173173) is (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide is CCCC(C)N(C)C(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide?
The InChIKey is ZQDNAFAYURWKTF-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-8-10(4)14(5)12(15)11(13)9(3)7-2/h9-11H,6-8,13H2,1-5H3/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide?
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide 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 (2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide is sourced from PubChem (CID 61173173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).