5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol

C29H62N2O2 — CID 15272899

IUPAC5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
SMILESCCCCCCC(CCCCCC(CCCCCC)NCCCCCO)NCCCCCO
InChIInChI=1S/C29H62N2O2/c1-3-5-7-12-20-28(30-24-16-10-18-26-32)22-14-9-15-23-29(21-13-8-6-4-2)31-25-17-11-19-27-33/h28-33H,3-27H2,1-2H3
InChIKeyXTJMXCCVOYZJST-UHFFFAOYSA-N
MW470.83 g/mol
LogP7.12
Rot. Bonds28

About 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol

5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol (PubChem CID 15272899) has the molecular formula C29H62N2O2 and a molecular weight of 470.83 g/mol. Its IUPAC name is 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
PubChem CID15272899
Molecular FormulaC29H62N2O2
Molecular Weight470.83 g/mol
Exact Mass470.48
IUPAC Name5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
SMILESCCCCCCC(CCCCCC(CCCCCC)NCCCCCO)NCCCCCO
InChIInChI=1S/C29H62N2O2/c1-3-5-7-12-20-28(30-24-16-10-18-26-32)22-14-9-15-23-29(21-13-8-6-4-2)31-25-17-11-19-27-33/h28-33H,3-27H2,1-2H3
InChIKeyXTJMXCCVOYZJST-UHFFFAOYSA-N
XLogP7.12
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds28
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 57.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
3-(propylamino)dodecan-1-ol
CID 114078400
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
N-tridecylpentadecan-3-amine
CID 88820168
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
1-(3-hydroxypropylamino)decan-1-ol
CID 57171427
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601
2-(hexylamino)pentan-1-ol
CID 155661034

Frequently Asked Questions

What is the IUPAC name of 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol?
The IUPAC name of 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol (CID 15272899) is 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol.
What is the SMILES notation for 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol?
The canonical SMILES for 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol is CCCCCCC(CCCCCC(CCCCCC)NCCCCCO)NCCCCCO.
What is the InChIKey of 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol?
The InChIKey is XTJMXCCVOYZJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62N2O2/c1-3-5-7-12-20-28(30-24-16-10-18-26-32)22-14-9-15-23-29(21-13-8-6-4-2)31-25-17-11-19-27-33/h28-33H,3-27H2,1-2H3.
What are the key properties of 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol?
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol has a molecular weight of 470.83 g/mol, XLogP of 7.12, 28 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol is sourced from PubChem (CID 15272899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).