3-[3-hydroxypropyl(icosyl)amino]propan-1-ol

C26H55NO2 — CID 87327688

IUPAC3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCN(CCCO)CCCO
InChIInChI=1S/C26H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(23-20-25-28)24-21-26-29/h28-29H,2-26H2,1H3
InChIKeyYUQWMAIBZGOUSM-UHFFFAOYSA-N
MW413.73 g/mol
LogP7.09
Rot. Bonds25

About 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol

3-[3-hydroxypropyl(icosyl)amino]propan-1-ol (PubChem CID 87327688) has the molecular formula C26H55NO2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
PubChem CID87327688
Molecular FormulaC26H55NO2
Molecular Weight413.73 g/mol
Exact Mass413.42
IUPAC Name3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCN(CCCO)CCCO
InChIInChI=1S/C26H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(23-20-25-28)24-21-26-29/h28-29H,2-26H2,1H3
InChIKeyYUQWMAIBZGOUSM-UHFFFAOYSA-N
XLogP7.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[decyl(propyl)amino]propan-1-ol
CID 13122229
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol?
The IUPAC name of 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol (CID 87327688) is 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol.
What is the SMILES notation for 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol?
The canonical SMILES for 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol is CCCCCCCCCCCCCCCCCCCCN(CCCO)CCCO.
What is the InChIKey of 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol?
The InChIKey is YUQWMAIBZGOUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27(23-20-25-28)24-21-26-29/h28-29H,2-26H2,1H3.
What are the key properties of 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol?
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol has a molecular weight of 413.73 g/mol, XLogP of 7.09, 25 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxypropyl(icosyl)amino]propan-1-ol is sourced from PubChem (CID 87327688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).