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

C20H43N3O — CID 10664966

IUPAC(2S)-2,6-diamino-N-tetradecylhexanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C20H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-20(24)19(22)16-13-14-17-21/h19H,2-18,21-22H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyURASODKACPTZEY-IBGZPJMESA-N
MW341.58 g/mol
LogP4.26
Rot. Bonds18

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

(2S)-2,6-diamino-N-tetradecylhexanamide (PubChem CID 10664966) has the molecular formula C20H43N3O and a molecular weight of 341.58 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-tetradecylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-tetradecylhexanamide
PubChem CID10664966
Molecular FormulaC20H43N3O
Molecular Weight341.58 g/mol
Exact Mass341.34
IUPAC Name(2S)-2,6-diamino-N-tetradecylhexanamide
SMILESCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C20H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-20(24)19(22)16-13-14-17-21/h19H,2-18,21-22H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyURASODKACPTZEY-IBGZPJMESA-N
XLogP4.26
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diamino-N-tetradecylhexanamide?
The IUPAC name of (2S)-2,6-diamino-N-tetradecylhexanamide (CID 10664966) is (2S)-2,6-diamino-N-tetradecylhexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-tetradecylhexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-tetradecylhexanamide is CCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-tetradecylhexanamide?
The InChIKey is URASODKACPTZEY-IBGZPJMESA-N. The full InChI is InChI=1S/C20H43N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-20(24)19(22)16-13-14-17-21/h19H,2-18,21-22H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-tetradecylhexanamide?
(2S)-2,6-diamino-N-tetradecylhexanamide has a molecular weight of 341.58 g/mol, XLogP of 4.26, 18 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-tetradecylhexanamide is sourced from PubChem (CID 10664966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).