2-amino-N-(5-methylhexyl)pentanamide

C12H26N2O — CID 81433782

IUPAC2-amino-N-(5-methylhexyl)pentanamide
SMILESCCCC(N)C(=O)NCCCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-7-11(13)12(15)14-9-6-5-8-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyWDJQORWZYMHDTE-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.06
Rot. Bonds8

About 2-amino-N-(5-methylhexyl)pentanamide

2-amino-N-(5-methylhexyl)pentanamide (PubChem CID 81433782) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-N-(5-methylhexyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(5-methylhexyl)pentanamide
PubChem CID81433782
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-N-(5-methylhexyl)pentanamide
SMILESCCCC(N)C(=O)NCCCCC(C)C
InChIInChI=1S/C12H26N2O/c1-4-7-11(13)12(15)14-9-6-5-8-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyWDJQORWZYMHDTE-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-6-(methylamino)-N-(5-methylhexyl)hexanamide
CID 175614226
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-amino-N-propylpentanamide
CID 43649977
(2R)-2-amino-N-(7-methyloctyl)-4-methylsulfanylbutanamide
CID 104908132
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
2-amino-N-hexylhexanamide
CID 60852762

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-methylhexyl)pentanamide?
The IUPAC name of 2-amino-N-(5-methylhexyl)pentanamide (CID 81433782) is 2-amino-N-(5-methylhexyl)pentanamide.
What is the SMILES notation for 2-amino-N-(5-methylhexyl)pentanamide?
The canonical SMILES for 2-amino-N-(5-methylhexyl)pentanamide is CCCC(N)C(=O)NCCCCC(C)C.
What is the InChIKey of 2-amino-N-(5-methylhexyl)pentanamide?
The InChIKey is WDJQORWZYMHDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-11(13)12(15)14-9-6-5-8-10(2)3/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(5-methylhexyl)pentanamide?
2-amino-N-(5-methylhexyl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-methylhexyl)pentanamide is sourced from PubChem (CID 81433782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).