2-amino-N-octan-2-ylbutanamide

C12H26N2O — CID 43711439

IUPAC2-amino-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)C(N)CC
InChIInChI=1S/C12H26N2O/c1-4-6-7-8-9-10(3)14-12(15)11(13)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyAICMDOAKLNBKNR-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds8

About 2-amino-N-octan-2-ylbutanamide

2-amino-N-octan-2-ylbutanamide (PubChem CID 43711439) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-N-octan-2-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-octan-2-ylbutanamide
PubChem CID43711439
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-N-octan-2-ylbutanamide
SMILESCCCCCCC(C)NC(=O)C(N)CC
InChIInChI=1S/C12H26N2O/c1-4-6-7-8-9-10(3)14-12(15)11(13)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15)
InChIKeyAICMDOAKLNBKNR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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

(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-amino-5-methoxy-N-octan-2-ylpentanamide
CID 81083239
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-octan-2-ylbutanamide?
The IUPAC name of 2-amino-N-octan-2-ylbutanamide (CID 43711439) is 2-amino-N-octan-2-ylbutanamide.
What is the SMILES notation for 2-amino-N-octan-2-ylbutanamide?
The canonical SMILES for 2-amino-N-octan-2-ylbutanamide is CCCCCCC(C)NC(=O)C(N)CC.
What is the InChIKey of 2-amino-N-octan-2-ylbutanamide?
The InChIKey is AICMDOAKLNBKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-6-7-8-9-10(3)14-12(15)11(13)5-2/h10-11H,4-9,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-octan-2-ylbutanamide?
2-amino-N-octan-2-ylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-octan-2-ylbutanamide is sourced from PubChem (CID 43711439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).