1-[methyl(octyl)amino]propan-2-ol

C12H27NO — CID 62333367

IUPAC1-[methyl(octyl)amino]propan-2-ol
SMILESCCCCCCCCN(C)CC(C)O
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13(3)11-12(2)14/h12,14H,4-11H2,1-3H3
InChIKeyWCXAEXVUOFRXCJ-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds9

About 1-[methyl(octyl)amino]propan-2-ol

1-[methyl(octyl)amino]propan-2-ol (PubChem CID 62333367) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-[methyl(octyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl(octyl)amino]propan-2-ol
PubChem CID62333367
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-[methyl(octyl)amino]propan-2-ol
SMILESCCCCCCCCN(C)CC(C)O
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13(3)11-12(2)14/h12,14H,4-11H2,1-3H3
InChIKeyWCXAEXVUOFRXCJ-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
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

2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
N-(2-chloropropyl)-N-methyldecan-1-amine
CID 63388081
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
1-N,2-N,2-N-trimethyl-1-N-pentylpropane-1,2-diamine
CID 123552259
N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
1-[4-chlorobutyl(methyl)amino]propan-2-ol
CID 62337748
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(octyl)amino]propan-2-ol?
The IUPAC name of 1-[methyl(octyl)amino]propan-2-ol (CID 62333367) is 1-[methyl(octyl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl(octyl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl(octyl)amino]propan-2-ol is CCCCCCCCN(C)CC(C)O.
What is the InChIKey of 1-[methyl(octyl)amino]propan-2-ol?
The InChIKey is WCXAEXVUOFRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13(3)11-12(2)14/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-[methyl(octyl)amino]propan-2-ol?
1-[methyl(octyl)amino]propan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(octyl)amino]propan-2-ol is sourced from PubChem (CID 62333367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).