6-(dibutylamino)hexan-1-ol

C14H31NO — CID 22218557

IUPAC6-(dibutylamino)hexan-1-ol
SMILESCCCCN(CCCC)CCCCCCO
InChIInChI=1S/C14H31NO/c1-3-5-11-15(12-6-4-2)13-9-7-8-10-14-16/h16H,3-14H2,1-2H3
InChIKeyBOECYDPVUKJZCS-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.44
Rot. Bonds12

About 6-(dibutylamino)hexan-1-ol

6-(dibutylamino)hexan-1-ol (PubChem CID 22218557) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 6-(dibutylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(dibutylamino)hexan-1-ol
PubChem CID22218557
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name6-(dibutylamino)hexan-1-ol
SMILESCCCCN(CCCC)CCCCCCO
InChIInChI=1S/C14H31NO/c1-3-5-11-15(12-6-4-2)13-9-7-8-10-14-16/h16H,3-14H2,1-2H3
InChIKeyBOECYDPVUKJZCS-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.44
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

8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
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
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
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
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

Frequently Asked Questions

What is the IUPAC name of 6-(dibutylamino)hexan-1-ol?
The IUPAC name of 6-(dibutylamino)hexan-1-ol (CID 22218557) is 6-(dibutylamino)hexan-1-ol.
What is the SMILES notation for 6-(dibutylamino)hexan-1-ol?
The canonical SMILES for 6-(dibutylamino)hexan-1-ol is CCCCN(CCCC)CCCCCCO.
What is the InChIKey of 6-(dibutylamino)hexan-1-ol?
The InChIKey is BOECYDPVUKJZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-5-11-15(12-6-4-2)13-9-7-8-10-14-16/h16H,3-14H2,1-2H3.
What are the key properties of 6-(dibutylamino)hexan-1-ol?
6-(dibutylamino)hexan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.44, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dibutylamino)hexan-1-ol is sourced from PubChem (CID 22218557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).