1-(6-aminohexylamino)heptadecan-2-ol

C23H50N2O — CID 71383255

IUPAC1-(6-aminohexylamino)heptadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(O)CNCCCCCCN
InChIInChI=1S/C23H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23(26)22-25-21-18-15-14-17-20-24/h23,25-26H,2-22,24H2,1H3
InChIKeyZYQRFCREJZJYLW-UHFFFAOYSA-N
MW370.67 g/mol
LogP5.94
Rot. Bonds22

About 1-(6-aminohexylamino)heptadecan-2-ol

1-(6-aminohexylamino)heptadecan-2-ol (PubChem CID 71383255) has the molecular formula C23H50N2O and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(6-aminohexylamino)heptadecan-2-ol.

Molecular Properties

Compound Name1-(6-aminohexylamino)heptadecan-2-ol
PubChem CID71383255
Molecular FormulaC23H50N2O
Molecular Weight370.67 g/mol
Exact Mass370.39
IUPAC Name1-(6-aminohexylamino)heptadecan-2-ol
SMILESCCCCCCCCCCCCCCCC(O)CNCCCCCCN
InChIInChI=1S/C23H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23(26)22-25-21-18-15-14-17-20-24/h23,25-26H,2-22,24H2,1H3
InChIKeyZYQRFCREJZJYLW-UHFFFAOYSA-N
XLogP5.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.67
LogP ≤ 55.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
1-[2-(2-aminoethylamino)ethylamino]tetradecan-2-ol
CID 20527041
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-(12-methyltridecylamino)undecan-2-ol
CID 87220932
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-aminooctacosan-11-ol
CID 172994921
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexylamino)heptadecan-2-ol?
The IUPAC name of 1-(6-aminohexylamino)heptadecan-2-ol (CID 71383255) is 1-(6-aminohexylamino)heptadecan-2-ol.
What is the SMILES notation for 1-(6-aminohexylamino)heptadecan-2-ol?
The canonical SMILES for 1-(6-aminohexylamino)heptadecan-2-ol is CCCCCCCCCCCCCCCC(O)CNCCCCCCN.
What is the InChIKey of 1-(6-aminohexylamino)heptadecan-2-ol?
The InChIKey is ZYQRFCREJZJYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23(26)22-25-21-18-15-14-17-20-24/h23,25-26H,2-22,24H2,1H3.
What are the key properties of 1-(6-aminohexylamino)heptadecan-2-ol?
1-(6-aminohexylamino)heptadecan-2-ol has a molecular weight of 370.67 g/mol, XLogP of 5.94, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexylamino)heptadecan-2-ol is sourced from PubChem (CID 71383255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).