(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol

C20H42N2O — CID 139659771

IUPAC(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCC(O)CCNCCN
InChIInChI=1S/C20H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)16-18-22-19-17-21/h9-10,20,22-23H,2-8,11-19,21H2,1H3/b10-9-
InChIKeyLCPYQBNINDEUGF-KTKRTIGZSA-N
MW326.57 g/mol
LogP4.54
Rot. Bonds18

About (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol

(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol (PubChem CID 139659771) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol.

Molecular Properties

Compound Name(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
PubChem CID139659771
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol
SMILESCCCCCCCC/C=C\CCCCCC(O)CCNCCN
InChIInChI=1S/C20H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)16-18-22-19-17-21/h9-10,20,22-23H,2-8,11-19,21H2,1H3/b10-9-
InChIKeyLCPYQBNINDEUGF-KTKRTIGZSA-N
XLogP4.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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(Z)-4-hydroxyoctadec-9-enal
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(7R)-18-(heptadecylamino)octadecan-7-ol
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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol?
The IUPAC name of (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol (CID 139659771) is (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol.
What is the SMILES notation for (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol?
The canonical SMILES for (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol is CCCCCCCC/C=C\CCCCCC(O)CCNCCN.
What is the InChIKey of (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol?
The InChIKey is LCPYQBNINDEUGF-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)16-18-22-19-17-21/h9-10,20,22-23H,2-8,11-19,21H2,1H3/b10-9-.
What are the key properties of (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol?
(Z)-1-(2-aminoethylamino)octadec-9-en-3-ol has a molecular weight of 326.57 g/mol, XLogP of 4.54, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-aminoethylamino)octadec-9-en-3-ol is sourced from PubChem (CID 139659771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).