2-amino-N-hexylhexanamide

C12H26N2O — CID 60852762

IUPAC2-amino-N-hexylhexanamide
SMILESCCCCCCNC(=O)C(N)CCCC
InChIInChI=1S/C12H26N2O/c1-3-5-7-8-10-14-12(15)11(13)9-6-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyXJTZZWPSDSQFBQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds9

About 2-amino-N-hexylhexanamide

2-amino-N-hexylhexanamide (PubChem CID 60852762) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-amino-N-hexylhexanamide.

Molecular Properties

Compound Name2-amino-N-hexylhexanamide
PubChem CID60852762
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-amino-N-hexylhexanamide
SMILESCCCCCCNC(=O)C(N)CCCC
InChIInChI=1S/C12H26N2O/c1-3-5-7-8-10-14-12(15)11(13)9-6-4-2/h11H,3-10,13H2,1-2H3,(H,14,15)
InChIKeyXJTZZWPSDSQFBQ-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
(2S)-2,6-diamino-N-hexadecylhexanamide
CID 10595298
(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
2,3-diamino-N-octadecylpropanamide
CID 158457421
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
2-amino-N-octadecyl-5-oxotetracosanamide
CID 161320557
(2S)-2-amino-N-[4-(dimethylamino)butyl]hexanamide
CID 103831986
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
(2R)-2-amino-N-butylpentanamide
CID 82668431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexylhexanamide?
The IUPAC name of 2-amino-N-hexylhexanamide (CID 60852762) is 2-amino-N-hexylhexanamide.
What is the SMILES notation for 2-amino-N-hexylhexanamide?
The canonical SMILES for 2-amino-N-hexylhexanamide is CCCCCCNC(=O)C(N)CCCC.
What is the InChIKey of 2-amino-N-hexylhexanamide?
The InChIKey is XJTZZWPSDSQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-5-7-8-10-14-12(15)11(13)9-6-4-2/h11H,3-10,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-hexylhexanamide?
2-amino-N-hexylhexanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexylhexanamide is sourced from PubChem (CID 60852762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).