5-(dihexylamino)pentan-1-ol

C17H37NO — CID 22218544

IUPAC5-(dihexylamino)pentan-1-ol
SMILESCCCCCCN(CCCCCC)CCCCCO
InChIInChI=1S/C17H37NO/c1-3-5-7-10-14-18(15-11-8-6-4-2)16-12-9-13-17-19/h19H,3-17H2,1-2H3
InChIKeyDIQASPOCLYWDPC-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.61
Rot. Bonds15

About 5-(dihexylamino)pentan-1-ol

5-(dihexylamino)pentan-1-ol (PubChem CID 22218544) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 5-(dihexylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(dihexylamino)pentan-1-ol
PubChem CID22218544
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name5-(dihexylamino)pentan-1-ol
SMILESCCCCCCN(CCCCCC)CCCCCO
InChIInChI=1S/C17H37NO/c1-3-5-7-10-14-18(15-11-8-6-4-2)16-12-9-13-17-19/h19H,3-17H2,1-2H3
InChIKeyDIQASPOCLYWDPC-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
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
6-(dibutylamino)hexan-1-ol
CID 22218557
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
3-[decyl(propyl)amino]propan-1-ol
CID 13122229

Frequently Asked Questions

What is the IUPAC name of 5-(dihexylamino)pentan-1-ol?
The IUPAC name of 5-(dihexylamino)pentan-1-ol (CID 22218544) is 5-(dihexylamino)pentan-1-ol.
What is the SMILES notation for 5-(dihexylamino)pentan-1-ol?
The canonical SMILES for 5-(dihexylamino)pentan-1-ol is CCCCCCN(CCCCCC)CCCCCO.
What is the InChIKey of 5-(dihexylamino)pentan-1-ol?
The InChIKey is DIQASPOCLYWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-3-5-7-10-14-18(15-11-8-6-4-2)16-12-9-13-17-19/h19H,3-17H2,1-2H3.
What are the key properties of 5-(dihexylamino)pentan-1-ol?
5-(dihexylamino)pentan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.61, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihexylamino)pentan-1-ol is sourced from PubChem (CID 22218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).