2-methyl-1-(octylamino)propan-2-ol

C12H27NO — CID 65103945

IUPAC2-methyl-1-(octylamino)propan-2-ol
SMILESCCCCCCCCNCC(C)(C)O
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13-11-12(2,3)14/h13-14H,4-11H2,1-3H3
InChIKeyMOAWIVDWZRGXNC-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.71
Rot. Bonds9

About 2-methyl-1-(octylamino)propan-2-ol

2-methyl-1-(octylamino)propan-2-ol (PubChem CID 65103945) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 2-methyl-1-(octylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(octylamino)propan-2-ol
PubChem CID65103945
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name2-methyl-1-(octylamino)propan-2-ol
SMILESCCCCCCCCNCC(C)(C)O
InChIInChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13-11-12(2,3)14/h13-14H,4-11H2,1-3H3
InChIKeyMOAWIVDWZRGXNC-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(octylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(octylamino)propan-2-ol (CID 65103945) is 2-methyl-1-(octylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(octylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(octylamino)propan-2-ol is CCCCCCCCNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(octylamino)propan-2-ol?
The InChIKey is MOAWIVDWZRGXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-5-6-7-8-9-10-13-11-12(2,3)14/h13-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-(octylamino)propan-2-ol?
2-methyl-1-(octylamino)propan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(octylamino)propan-2-ol is sourced from PubChem (CID 65103945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).