(E,2R,3R)-2-aminoheptadec-4-en-3-ol

C17H35NO — CID 164611743

IUPAC(E,2R,3R)-2-aminoheptadec-4-en-3-ol
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)N
InChIInChI=1S/C17H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16(2)18/h14-17,19H,3-13,18H2,1-2H3/b15-14+/t16-,17-/m1/s1
InChIKeyBJVFMEDGLZWWDO-MHYRICRISA-N
MW269.47 g/mol
LogP4.56
Rot. Bonds13

About (E,2R,3R)-2-aminoheptadec-4-en-3-ol

(E,2R,3R)-2-aminoheptadec-4-en-3-ol (PubChem CID 164611743) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is (E,2R,3R)-2-aminoheptadec-4-en-3-ol.

Molecular Properties

Compound Name(E,2R,3R)-2-aminoheptadec-4-en-3-ol
PubChem CID164611743
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name(E,2R,3R)-2-aminoheptadec-4-en-3-ol
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)N
InChIInChI=1S/C17H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16(2)18/h14-17,19H,3-13,18H2,1-2H3/b15-14+/t16-,17-/m1/s1
InChIKeyBJVFMEDGLZWWDO-MHYRICRISA-N
XLogP4.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.56
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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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-2-aminoheptadec-4-en-3-ol?
The IUPAC name of (E,2R,3R)-2-aminoheptadec-4-en-3-ol (CID 164611743) is (E,2R,3R)-2-aminoheptadec-4-en-3-ol.
What is the SMILES notation for (E,2R,3R)-2-aminoheptadec-4-en-3-ol?
The canonical SMILES for (E,2R,3R)-2-aminoheptadec-4-en-3-ol is CCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](C)N.
What is the InChIKey of (E,2R,3R)-2-aminoheptadec-4-en-3-ol?
The InChIKey is BJVFMEDGLZWWDO-MHYRICRISA-N. The full InChI is InChI=1S/C17H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16(2)18/h14-17,19H,3-13,18H2,1-2H3/b15-14+/t16-,17-/m1/s1.
What are the key properties of (E,2R,3R)-2-aminoheptadec-4-en-3-ol?
(E,2R,3R)-2-aminoheptadec-4-en-3-ol has a molecular weight of 269.47 g/mol, XLogP of 4.56, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-2-aminoheptadec-4-en-3-ol is sourced from PubChem (CID 164611743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).