4-[methyl(octyl)amino]butan-1-ol

C13H29NO — CID 87238675

IUPAC4-[methyl(octyl)amino]butan-1-ol
SMILESCCCCCCCCN(C)CCCCO
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h15H,3-13H2,1-2H3
InChIKeyVQNJNKWUFVYIMM-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.05
Rot. Bonds11

About 4-[methyl(octyl)amino]butan-1-ol

4-[methyl(octyl)amino]butan-1-ol (PubChem CID 87238675) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 4-[methyl(octyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl(octyl)amino]butan-1-ol
PubChem CID87238675
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name4-[methyl(octyl)amino]butan-1-ol
SMILESCCCCCCCCN(C)CCCCO
InChIInChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h15H,3-13H2,1-2H3
InChIKeyVQNJNKWUFVYIMM-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.05
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-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
N-methyl-N-nonylundecan-1-amine
CID 603442
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(octyl)amino]butan-1-ol?
The IUPAC name of 4-[methyl(octyl)amino]butan-1-ol (CID 87238675) is 4-[methyl(octyl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl(octyl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl(octyl)amino]butan-1-ol is CCCCCCCCN(C)CCCCO.
What is the InChIKey of 4-[methyl(octyl)amino]butan-1-ol?
The InChIKey is VQNJNKWUFVYIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-3-4-5-6-7-8-11-14(2)12-9-10-13-15/h15H,3-13H2,1-2H3.
What are the key properties of 4-[methyl(octyl)amino]butan-1-ol?
4-[methyl(octyl)amino]butan-1-ol has a molecular weight of 215.38 g/mol, XLogP of 3.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(octyl)amino]butan-1-ol is sourced from PubChem (CID 87238675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).