2-aminohexadecanoic acid;azane

C16H36N2O2 — CID 175267671

IUPAC2-aminohexadecanoic acid;azane
SMILESCCCCCCCCCCCCCCC(N)C(=O)O.N
InChIInChI=1S/C16H33NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14,17H2,1H3,(H,18,19);1H3
InChIKeyGFIITNZNNQLMFD-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.65
Rot. Bonds14

About 2-aminohexadecanoic acid;azane

2-aminohexadecanoic acid;azane (PubChem CID 175267671) has the molecular formula C16H36N2O2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-aminohexadecanoic acid;azane.

Molecular Properties

Compound Name2-aminohexadecanoic acid;azane
PubChem CID175267671
Molecular FormulaC16H36N2O2
Molecular Weight288.48 g/mol
Exact Mass288.28
IUPAC Name2-aminohexadecanoic acid;azane
SMILESCCCCCCCCCCCCCCC(N)C(=O)O.N
InChIInChI=1S/C16H33NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14,17H2,1H3,(H,18,19);1H3
InChIKeyGFIITNZNNQLMFD-UHFFFAOYSA-N
XLogP4.65
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.65
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

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-aminodecanoic acid;prop-2-enoic acid
CID 160700626
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
2-aminoundecanoic acid;2-methylprop-2-enamide
CID 157268001
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,3S)-2-amino-3-methylpentanoic acid;2-aminooctanoic acid
CID 158523368
(2S)-2-amino-6-(dodecylcarbamoylamino)hexanoic acid
CID 15825732
2-aminohexanoic acid;2,6-diaminohexanoic acid
CID 22006143

Frequently Asked Questions

What is the IUPAC name of 2-aminohexadecanoic acid;azane?
The IUPAC name of 2-aminohexadecanoic acid;azane (CID 175267671) is 2-aminohexadecanoic acid;azane.
What is the SMILES notation for 2-aminohexadecanoic acid;azane?
The canonical SMILES for 2-aminohexadecanoic acid;azane is CCCCCCCCCCCCCCC(N)C(=O)O.N.
What is the InChIKey of 2-aminohexadecanoic acid;azane?
The InChIKey is GFIITNZNNQLMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h15H,2-14,17H2,1H3,(H,18,19);1H3.
What are the key properties of 2-aminohexadecanoic acid;azane?
2-aminohexadecanoic acid;azane has a molecular weight of 288.48 g/mol, XLogP of 4.65, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexadecanoic acid;azane is sourced from PubChem (CID 175267671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).