(Z)-16-aminohexadec-9-enoic acid

C16H31NO2 — CID 87215029

IUPAC(Z)-16-aminohexadec-9-enoic acid
SMILESNCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C16H31NO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15,17H2,(H,18,19)/b3-1-
InChIKeyBSPQZSYLYIBWBS-IWQZZHSRSA-N
MW269.43 g/mol
LogP4.27
Rot. Bonds14

About (Z)-16-aminohexadec-9-enoic acid

(Z)-16-aminohexadec-9-enoic acid (PubChem CID 87215029) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (Z)-16-aminohexadec-9-enoic acid.

Molecular Properties

Compound Name(Z)-16-aminohexadec-9-enoic acid
PubChem CID87215029
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(Z)-16-aminohexadec-9-enoic acid
SMILESNCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C16H31NO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15,17H2,(H,18,19)/b3-1-
InChIKeyBSPQZSYLYIBWBS-IWQZZHSRSA-N
XLogP4.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-16-aminohexadec-11-enoic acid
CID 89054374
(E)-12-aminododec-9-enoic acid
CID 134246838
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
(9Z,30Z)-nonatriaconta-9,30-dienedioic acid
CID 151731001
(9Z,33Z)-dotetraconta-9,33-dienedioic acid
CID 87211353
nonatriaconta-9,30-dienedioic acid
CID 151730999
tetradec-6-enedioic acid
CID 151545129
bis(octadec-9-enoic acid);propane-1,3-diamine
CID 173374697
(Z)-dodec-5-enedioic acid
CID 86751837
heptanedioic acid;hexane-1,6-diamine
CID 174639050

Frequently Asked Questions

What is the IUPAC name of (Z)-16-aminohexadec-9-enoic acid?
The IUPAC name of (Z)-16-aminohexadec-9-enoic acid (CID 87215029) is (Z)-16-aminohexadec-9-enoic acid.
What is the SMILES notation for (Z)-16-aminohexadec-9-enoic acid?
The canonical SMILES for (Z)-16-aminohexadec-9-enoic acid is NCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-16-aminohexadec-9-enoic acid?
The InChIKey is BSPQZSYLYIBWBS-IWQZZHSRSA-N. The full InChI is InChI=1S/C16H31NO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15,17H2,(H,18,19)/b3-1-.
What are the key properties of (Z)-16-aminohexadec-9-enoic acid?
(Z)-16-aminohexadec-9-enoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.27, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-16-aminohexadec-9-enoic acid is sourced from PubChem (CID 87215029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).