(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol

C19H37NO — CID 89234774

IUPAC(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol
SMILESC=C(/C=C/CCCCCCCCCCCCC)[C@@H](N)CO
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(20)17-21/h15-16,19,21H,2-14,17,20H2,1H3/b16-15+/t19-/m0/s1
InChIKeyIJCCMJTXWHWDGW-VVLLFNJHSA-N
MW295.51 g/mol
LogP5.12
Rot. Bonds15

About (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol

(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol (PubChem CID 89234774) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol.

Molecular Properties

Compound Name(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol
PubChem CID89234774
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol
SMILESC=C(/C=C/CCCCCCCCCCCCC)[C@@H](N)CO
InChIInChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(20)17-21/h15-16,19,21H,2-14,17,20H2,1H3/b16-15+/t19-/m0/s1
InChIKeyIJCCMJTXWHWDGW-VVLLFNJHSA-N
XLogP5.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol?
The IUPAC name of (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol (CID 89234774) is (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol.
What is the SMILES notation for (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol?
The canonical SMILES for (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol is C=C(/C=C/CCCCCCCCCCCCC)[C@@H](N)CO.
What is the InChIKey of (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol?
The InChIKey is IJCCMJTXWHWDGW-VVLLFNJHSA-N. The full InChI is InChI=1S/C19H37NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2)19(20)17-21/h15-16,19,21H,2-14,17,20H2,1H3/b16-15+/t19-/m0/s1.
What are the key properties of (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol?
(E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol has a molecular weight of 295.51 g/mol, XLogP of 5.12, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-amino-3-methylideneoctadec-4-en-1-ol is sourced from PubChem (CID 89234774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).