(2S,3R)-2-aminooctadec-14-en-3-ol

C18H37NO — CID 171149144

IUPAC(2S,3R)-2-aminooctadec-14-en-3-ol
SMILESCCCC=CCCCCCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyBPUUVXWJPCOCMG-ZWKOTPCHSA-N
MW283.50 g/mol
LogP4.95
Rot. Bonds14

About (2S,3R)-2-aminooctadec-14-en-3-ol

(2S,3R)-2-aminooctadec-14-en-3-ol (PubChem CID 171149144) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is (2S,3R)-2-aminooctadec-14-en-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-aminooctadec-14-en-3-ol
PubChem CID171149144
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name(2S,3R)-2-aminooctadec-14-en-3-ol
SMILESCCCC=CCCCCCCCCCC[C@@H](O)[C@H](C)N
InChIInChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/t17-,18+/m0/s1
InChIKeyBPUUVXWJPCOCMG-ZWKOTPCHSA-N
XLogP4.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.95
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

17-aminohexatriacont-27-ene-16,18-diol
CID 123784672
(2S,5Z,8Z,11Z,14Z,17Z,20Z,29S)-2,29-diaminotriaconta-5,8,11,14,17,20-hexaene-3,28-diol
CID 5468255
(2S,3S)-2-aminoundecan-3-ol
CID 132514193
2-aminotetradecan-3-ol
CID 10198494
dodec-8-ene-1,1-diol
CID 90860381
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-20-methyloctacos-4-ene
CID 173194294
heptadec-9-en-2-ol
CID 54154410
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
tricosa-4,19-diene
CID 142680711

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-aminooctadec-14-en-3-ol?
The IUPAC name of (2S,3R)-2-aminooctadec-14-en-3-ol (CID 171149144) is (2S,3R)-2-aminooctadec-14-en-3-ol.
What is the SMILES notation for (2S,3R)-2-aminooctadec-14-en-3-ol?
The canonical SMILES for (2S,3R)-2-aminooctadec-14-en-3-ol is CCCC=CCCCCCCCCCC[C@@H](O)[C@H](C)N.
What is the InChIKey of (2S,3R)-2-aminooctadec-14-en-3-ol?
The InChIKey is BPUUVXWJPCOCMG-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h5-6,17-18,20H,3-4,7-16,19H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (2S,3R)-2-aminooctadec-14-en-3-ol?
(2S,3R)-2-aminooctadec-14-en-3-ol has a molecular weight of 283.50 g/mol, XLogP of 4.95, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-aminooctadec-14-en-3-ol is sourced from PubChem (CID 171149144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).