6-(7-methyloctylamino)hexan-1-ol

C15H33NO — CID 107814970

IUPAC6-(7-methyloctylamino)hexan-1-ol
SMILESCC(C)CCCCCCNCCCCCCO
InChIInChI=1S/C15H33NO/c1-15(2)11-7-3-4-8-12-16-13-9-5-6-10-14-17/h15-17H,3-14H2,1-2H3
InChIKeyISKVKYKGNBMGCY-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.74
Rot. Bonds13

About 6-(7-methyloctylamino)hexan-1-ol

6-(7-methyloctylamino)hexan-1-ol (PubChem CID 107814970) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 6-(7-methyloctylamino)hexan-1-ol.

Molecular Properties

Compound Name6-(7-methyloctylamino)hexan-1-ol
PubChem CID107814970
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name6-(7-methyloctylamino)hexan-1-ol
SMILESCC(C)CCCCCCNCCCCCCO
InChIInChI=1S/C15H33NO/c1-15(2)11-7-3-4-8-12-16-13-9-5-6-10-14-17/h15-17H,3-14H2,1-2H3
InChIKeyISKVKYKGNBMGCY-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(7-methyloctylamino)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methylheptylamino)ethanol
CID 23342125
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
16-methylheptadecan-1-ol;titanium
CID 151630620
CID 172760633
CID 172760633
alumane;6-methylheptan-1-ol
CID 174615736
sodium;hydride;8-methylnonan-1-ol
CID 175362951
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
3-methylbutan-1-ol;9-methyldecan-1-ol;11-methyldodecan-1-ol;6-methylheptan-1-ol;5-methylhexan-1-ol;8-methylnonan-1-ol;7-methyloctan-1-ol;4-methylpentan-1-ol;12-methyltridecan-1-ol;10-methylundecan-1-ol
CID 161175838
CID 6335748
CID 6335748

Frequently Asked Questions

What is the IUPAC name of 6-(7-methyloctylamino)hexan-1-ol?
The IUPAC name of 6-(7-methyloctylamino)hexan-1-ol (CID 107814970) is 6-(7-methyloctylamino)hexan-1-ol.
What is the SMILES notation for 6-(7-methyloctylamino)hexan-1-ol?
The canonical SMILES for 6-(7-methyloctylamino)hexan-1-ol is CC(C)CCCCCCNCCCCCCO.
What is the InChIKey of 6-(7-methyloctylamino)hexan-1-ol?
The InChIKey is ISKVKYKGNBMGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-15(2)11-7-3-4-8-12-16-13-9-5-6-10-14-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 6-(7-methyloctylamino)hexan-1-ol?
6-(7-methyloctylamino)hexan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.74, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyloctylamino)hexan-1-ol is sourced from PubChem (CID 107814970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).