6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol

C18H40N2O — CID 125481029

IUPAC6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
SMILESCCN(CC)CCCCCCN(CC)CCCCCCO
InChIInChI=1S/C18H40N2O/c1-4-19(5-2)15-11-7-8-12-16-20(6-3)17-13-9-10-14-18-21/h21H,4-18H2,1-3H3
InChIKeyJWLVMASTYGEYFB-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.76
Rot. Bonds16

About 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol

6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol (PubChem CID 125481029) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
PubChem CID125481029
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
SMILESCCN(CC)CCCCCCN(CC)CCCCCCO
InChIInChI=1S/C18H40N2O/c1-4-19(5-2)15-11-7-8-12-16-20(6-3)17-13-9-10-14-18-21/h21H,4-18H2,1-3H3
InChIKeyJWLVMASTYGEYFB-UHFFFAOYSA-N
XLogP3.76
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
bis(3-(diethylamino)propan-1-ol);zirconium
CID 158788459
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
2-[ethyl(nonyl)amino]ethanol
CID 62021397
6-(dibutylamino)hexan-1-ol
CID 22218557
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
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025

Frequently Asked Questions

What is the IUPAC name of 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol?
The IUPAC name of 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol (CID 125481029) is 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol.
What is the SMILES notation for 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol?
The canonical SMILES for 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol is CCN(CC)CCCCCCN(CC)CCCCCCO.
What is the InChIKey of 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol?
The InChIKey is JWLVMASTYGEYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-4-19(5-2)15-11-7-8-12-16-20(6-3)17-13-9-10-14-18-21/h21H,4-18H2,1-3H3.
What are the key properties of 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol?
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol has a molecular weight of 300.53 g/mol, XLogP of 3.76, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol is sourced from PubChem (CID 125481029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).