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

C18H39N3O — CID 10805166

IUPAC(2S)-2,6-diamino-N-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyYKFORZPFABJQKU-KRWDZBQOSA-N
MW313.53 g/mol
LogP3.48
Rot. Bonds16

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

(2S)-2,6-diamino-N-dodecylhexanamide (PubChem CID 10805166) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is (2S)-2,6-diamino-N-dodecylhexanamide.

Molecular Properties

Compound Name(2S)-2,6-diamino-N-dodecylhexanamide
PubChem CID10805166
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Name(2S)-2,6-diamino-N-dodecylhexanamide
SMILESCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN
InChIInChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyYKFORZPFABJQKU-KRWDZBQOSA-N
XLogP3.48
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.48
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-dodecylhexanamide?
The IUPAC name of (2S)-2,6-diamino-N-dodecylhexanamide (CID 10805166) is (2S)-2,6-diamino-N-dodecylhexanamide.
What is the SMILES notation for (2S)-2,6-diamino-N-dodecylhexanamide?
The canonical SMILES for (2S)-2,6-diamino-N-dodecylhexanamide is CCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN.
What is the InChIKey of (2S)-2,6-diamino-N-dodecylhexanamide?
The InChIKey is YKFORZPFABJQKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H39N3O/c1-2-3-4-5-6-7-8-9-10-13-16-21-18(22)17(20)14-11-12-15-19/h17H,2-16,19-20H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2,6-diamino-N-dodecylhexanamide?
(2S)-2,6-diamino-N-dodecylhexanamide has a molecular weight of 313.53 g/mol, XLogP of 3.48, 16 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-dodecylhexanamide is sourced from PubChem (CID 10805166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).