1-(2,8-dimethylnonylamino)propan-2-ol

C14H31NO — CID 21150228

IUPAC1-(2,8-dimethylnonylamino)propan-2-ol
SMILESCC(C)CCCCCC(C)CNCC(C)O
InChIInChI=1S/C14H31NO/c1-12(2)8-6-5-7-9-13(3)10-15-11-14(4)16/h12-16H,5-11H2,1-4H3
InChIKeyPNUBSMPIKOMMEP-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.20
Rot. Bonds10

About 1-(2,8-dimethylnonylamino)propan-2-ol

1-(2,8-dimethylnonylamino)propan-2-ol (PubChem CID 21150228) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(2,8-dimethylnonylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,8-dimethylnonylamino)propan-2-ol
PubChem CID21150228
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(2,8-dimethylnonylamino)propan-2-ol
SMILESCC(C)CCCCCC(C)CNCC(C)O
InChIInChI=1S/C14H31NO/c1-12(2)8-6-5-7-9-13(3)10-15-11-14(4)16/h12-16H,5-11H2,1-4H3
InChIKeyPNUBSMPIKOMMEP-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.20
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

4-aminobenzoic acid;1-(2,8-dimethylnonylamino)propan-2-ol;hydrochloride
CID 21150227
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712
1-(2-hydroxypropylamino)propan-2-ol;methane
CID 161456696
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
2-(6-methylheptylamino)ethane-1,1-diol
CID 175199502
1-[(1-chloro-12-methyltridecyl)amino]propan-2-ol;hydrochloride
CID 173171571
2,22-dimethyltricosane
CID 58100191
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
methane;2-methyldecan-1-ol;2-methyloctadecane;nonane;octan-2-ol
CID 157486935

Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethylnonylamino)propan-2-ol?
The IUPAC name of 1-(2,8-dimethylnonylamino)propan-2-ol (CID 21150228) is 1-(2,8-dimethylnonylamino)propan-2-ol.
What is the SMILES notation for 1-(2,8-dimethylnonylamino)propan-2-ol?
The canonical SMILES for 1-(2,8-dimethylnonylamino)propan-2-ol is CC(C)CCCCCC(C)CNCC(C)O.
What is the InChIKey of 1-(2,8-dimethylnonylamino)propan-2-ol?
The InChIKey is PNUBSMPIKOMMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-12(2)8-6-5-7-9-13(3)10-15-11-14(4)16/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(2,8-dimethylnonylamino)propan-2-ol?
1-(2,8-dimethylnonylamino)propan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.20, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethylnonylamino)propan-2-ol is sourced from PubChem (CID 21150228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).