(2S)-2,6-diamino-N-hexadecylhexanamide

C22H47N3O — CID 10595298

IUPAC(2S)-2,6-diamino-N-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22(26)21(24)18-15-16-19-23/h21H,2-20,23-24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyLWEXAPVESMZHFG-NRFANRHFSA-N
MW369.64 g/mol
LogP5.04
Rot. Bonds20

About (2S)-2,6-diamino-N-hexadecylhexanamide

(2S)-2,6-diamino-N-hexadecylhexanamide (PubChem CID 10595298) has the molecular formula C22H47N3O and a molecular weight of 369.64 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-hexadecylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-hexadecylhexanamide
PubChem CID10595298
Molecular FormulaC22H47N3O
Molecular Weight369.64 g/mol
Exact Mass369.37
IUPAC Name(2S)-2,6-diamino-N-hexadecylhexanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22(26)21(24)18-15-16-19-23/h21H,2-20,23-24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyLWEXAPVESMZHFG-NRFANRHFSA-N
XLogP5.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,6-diamino-N-dodecylhexanamide
CID 10663029
2,6-diamino-N-[10-(2,6-diaminohexanoylamino)decyl]hexanamide
CID 4011235
(2S)-2,6-diamino-N-[6-[[(2S)-2,6-diaminohexanoyl]amino]hexyl]hexanamide
CID 100984594
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(octadecylamino)hexanamide
CID 11621214
2-amino-N-hexylhexanamide
CID 60852762
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2,6-diamino-N-[4-(4-aminobutylamino)butyl]hexanamide
CID 11022527
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-6-(butylamino)hexanamide
CID 23400711
(2S)-2,6-diamino-N-[2-[[(2S)-2,6-diaminohexanoyl]amino]ethyl]hexanamide
CID 57079658
(2S)-2,6-diamino-N-[(5S)-5-amino-6-oxoheptyl]hexanamide
CID 89285466
N,N-bis[3-[[(2S)-2,6-diaminohexanoyl]amino]propyl]octanamide
CID 129148802
2,6-diamino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]hexanamide
CID 23400695

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-hexadecylhexanamide?
The IUPAC name of (2S)-2,6-diamino-N-hexadecylhexanamide (CID 10595298) is (2S)-2,6-diamino-N-hexadecylhexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-hexadecylhexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-hexadecylhexanamide is CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-hexadecylhexanamide?
The InChIKey is LWEXAPVESMZHFG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H47N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-22(26)21(24)18-15-16-19-23/h21H,2-20,23-24H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-hexadecylhexanamide?
(2S)-2,6-diamino-N-hexadecylhexanamide has a molecular weight of 369.64 g/mol, XLogP of 5.04, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diamino-N-hexadecylhexanamide is sourced from PubChem (CID 10595298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).