(7R)-18-(heptadecylamino)octadecan-7-ol

C35H73NO — CID 88529231

IUPAC(7R)-18-(heptadecylamino)octadecan-7-ol
SMILESCCCCCCCCCCCCCCCCCNCCCCCCCCCCC[C@H](O)CCCCCC
InChIInChI=1S/C35H73NO/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-25-29-33-36-34-30-26-23-20-17-18-21-24-28-32-35(37)31-27-8-6-4-2/h35-37H,3-34H2,1-2H3/t35-/m1/s1
InChIKeyYIYNECIVZGDAGX-PGUFJCEWSA-N
MW523.98 g/mol
LogP11.68
Rot. Bonds33

About (7R)-18-(heptadecylamino)octadecan-7-ol

(7R)-18-(heptadecylamino)octadecan-7-ol (PubChem CID 88529231) has the molecular formula C35H73NO and a molecular weight of 523.98 g/mol. Its IUPAC name is (7R)-18-(heptadecylamino)octadecan-7-ol.

Molecular Properties

Compound Name(7R)-18-(heptadecylamino)octadecan-7-ol
PubChem CID88529231
Molecular FormulaC35H73NO
Molecular Weight523.98 g/mol
Exact Mass523.57
IUPAC Name(7R)-18-(heptadecylamino)octadecan-7-ol
SMILESCCCCCCCCCCCCCCCCCNCCCCCCCCCCC[C@H](O)CCCCCC
InChIInChI=1S/C35H73NO/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-25-29-33-36-34-30-26-23-20-17-18-21-24-28-32-35(37)31-27-8-6-4-2/h35-37H,3-34H2,1-2H3/t35-/m1/s1
InChIKeyYIYNECIVZGDAGX-PGUFJCEWSA-N
XLogP11.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.98
LogP ≤ 511.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-(ethylamino)decan-4-ol
CID 159715833
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705

Frequently Asked Questions

What is the IUPAC name of (7R)-18-(heptadecylamino)octadecan-7-ol?
The IUPAC name of (7R)-18-(heptadecylamino)octadecan-7-ol (CID 88529231) is (7R)-18-(heptadecylamino)octadecan-7-ol.
What is the SMILES notation for (7R)-18-(heptadecylamino)octadecan-7-ol?
The canonical SMILES for (7R)-18-(heptadecylamino)octadecan-7-ol is CCCCCCCCCCCCCCCCCNCCCCCCCCCCC[C@H](O)CCCCCC.
What is the InChIKey of (7R)-18-(heptadecylamino)octadecan-7-ol?
The InChIKey is YIYNECIVZGDAGX-PGUFJCEWSA-N. The full InChI is InChI=1S/C35H73NO/c1-3-5-7-9-10-11-12-13-14-15-16-19-22-25-29-33-36-34-30-26-23-20-17-18-21-24-28-32-35(37)31-27-8-6-4-2/h35-37H,3-34H2,1-2H3/t35-/m1/s1.
What are the key properties of (7R)-18-(heptadecylamino)octadecan-7-ol?
(7R)-18-(heptadecylamino)octadecan-7-ol has a molecular weight of 523.98 g/mol, XLogP of 11.68, 33 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-18-(heptadecylamino)octadecan-7-ol is sourced from PubChem (CID 88529231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).