(Z)-1-(methylamino)icos-11-en-2-ol

C21H43NO — CID 140697791

IUPAC(Z)-1-(methylamino)icos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CNC
InChIInChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22-2/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyBXHBDYMTZOEMJH-KHPPLWFESA-N
MW325.58 g/mol
LogP5.99
Rot. Bonds18

About (Z)-1-(methylamino)icos-11-en-2-ol

(Z)-1-(methylamino)icos-11-en-2-ol (PubChem CID 140697791) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is (Z)-1-(methylamino)icos-11-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(methylamino)icos-11-en-2-ol
PubChem CID140697791
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name(Z)-1-(methylamino)icos-11-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCC(O)CNC
InChIInChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22-2/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyBXHBDYMTZOEMJH-KHPPLWFESA-N
XLogP5.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.99
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

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CID 14135864
(Z)-2-aminooctadec-8-ene-1,3-diol
CID 70684718
Pseudodistamine
CID 11075535
(2R)-1-(octa-2,4-dienylamino)heptan-2-ol
CID 163188276
(Z)-2-(Octadec-9-enylamino)ethanol
CID 9879766
(8Z,d18:1) sphingosine
CID 42608348
(Z,2S,3R)-2-aminooctadec-14-en-3-ol
CID 137700466
(2S,3R)-2-aminooctadec-8-ene-1,3-diol
CID 56927685
2-(9-Octadecenylamino)-1-ethanol
CID 3015554
(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(methylamino)icos-11-en-2-ol?
The IUPAC name of (Z)-1-(methylamino)icos-11-en-2-ol (CID 140697791) is (Z)-1-(methylamino)icos-11-en-2-ol.
What is the SMILES notation for (Z)-1-(methylamino)icos-11-en-2-ol?
The canonical SMILES for (Z)-1-(methylamino)icos-11-en-2-ol is CCCCCCCC/C=C\CCCCCCCCC(O)CNC.
What is the InChIKey of (Z)-1-(methylamino)icos-11-en-2-ol?
The InChIKey is BXHBDYMTZOEMJH-KHPPLWFESA-N. The full InChI is InChI=1S/C21H43NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)20-22-2/h10-11,21-23H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of (Z)-1-(methylamino)icos-11-en-2-ol?
(Z)-1-(methylamino)icos-11-en-2-ol has a molecular weight of 325.58 g/mol, XLogP of 5.99, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(methylamino)icos-11-en-2-ol is sourced from PubChem (CID 140697791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).