8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol

C21H46N2O — CID 21130712

IUPAC8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol
SMILESCCCCCN(C)CC(CCCCCCO)CN(C)CCCCC
InChIInChI=1S/C21H46N2O/c1-5-7-12-16-22(3)19-21(15-11-9-10-14-18-24)20-23(4)17-13-8-6-2/h21,24H,5-20H2,1-4H3
InChIKeyHJFUIGLCULYISY-UHFFFAOYSA-N
MW342.61 g/mol
LogP4.79
Rot. Bonds18

About 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol

8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol (PubChem CID 21130712) has the molecular formula C21H46N2O and a molecular weight of 342.61 g/mol. Its IUPAC name is 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol.

Molecular Properties

Compound Name8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol
PubChem CID21130712
Molecular FormulaC21H46N2O
Molecular Weight342.61 g/mol
Exact Mass342.36
IUPAC Name8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol
SMILESCCCCCN(C)CC(CCCCCCO)CN(C)CCCCC
InChIInChI=1S/C21H46N2O/c1-5-7-12-16-22(3)19-21(15-11-9-10-14-18-24)20-23(4)17-13-8-6-2/h21,24H,5-20H2,1-4H3
InChIKeyHJFUIGLCULYISY-UHFFFAOYSA-N
XLogP4.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.61
LogP ≤ 54.79
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

10-(Dibutylamino)decan-1-ol
CID 220009
12-(Diethylamino)dodecan-1-ol
CID 22218520
n,n-Dibutylundecanolamine
CID 87317390
11-(Dihexylamino)undecan-1-ol
CID 219366
11-(Dibutylamino)undecan-1-ol
CID 258653
Ethyl-(16-hydroxyhexadecyl)-dimethylazanium
CID 91122577
Hydroxy ethyl methyl hexadecyl amine
CID 129801315
9-(Dibutylamino)nonan-1-ol
CID 221533
8-(Dibutylamino)octan-1-ol
CID 221532
Triethyl(12-hydroxydodecyl)azanium
CID 10570920
16-(Diethylamino)hexadecan-1-ol
CID 17853722
1-Hydroxynonyl(tripropyl)azanium
CID 19089786

Frequently Asked Questions

What is the IUPAC name of 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol?
The IUPAC name of 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol (CID 21130712) is 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol.
What is the SMILES notation for 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol?
The canonical SMILES for 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol is CCCCCN(C)CC(CCCCCCO)CN(C)CCCCC.
What is the InChIKey of 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol?
The InChIKey is HJFUIGLCULYISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2O/c1-5-7-12-16-22(3)19-21(15-11-9-10-14-18-24)20-23(4)17-13-8-6-2/h21,24H,5-20H2,1-4H3.
What are the key properties of 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol?
8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol has a molecular weight of 342.61 g/mol, XLogP of 4.79, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[methyl(pentyl)amino]-7-[[methyl(pentyl)amino]methyl]octan-1-ol is sourced from PubChem (CID 21130712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).