3-[(3-butyl-3-methylnonyl)amino]propan-1-ol

C17H37NO — CID 170045462

IUPAC3-[(3-butyl-3-methylnonyl)amino]propan-1-ol
SMILESCCCCCCC(C)(CCCC)CCNCCCO
InChIInChI=1S/C17H37NO/c1-4-6-8-9-12-17(3,11-7-5-2)13-15-18-14-10-16-19/h18-19H,4-16H2,1-3H3
InChIKeyWKVIMBFXURMULA-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.52
Rot. Bonds14

About 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol

3-[(3-butyl-3-methylnonyl)amino]propan-1-ol (PubChem CID 170045462) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(3-butyl-3-methylnonyl)amino]propan-1-ol
PubChem CID170045462
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-[(3-butyl-3-methylnonyl)amino]propan-1-ol
SMILESCCCCCCC(C)(CCCC)CCNCCCO
InChIInChI=1S/C17H37NO/c1-4-6-8-9-12-17(3,11-7-5-2)13-15-18-14-10-16-19/h18-19H,4-16H2,1-3H3
InChIKeyWKVIMBFXURMULA-UHFFFAOYSA-N
XLogP4.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.52
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

3-(Tetradecylamino)propan-1-ol
CID 4674685
2-Ethylhexylhydroxypropylamine
CID 60683005
3-(Octadecylamino)propan-1-ol
CID 3456538
3-(Hexadecylamino)propan-1-ol
CID 5220432
3-(Tridecylamino)propan-1-ol
CID 12774792
3-(Nonadecylamino)propan-1-ol
CID 20249691
3-(Pentadecylamino)propan-1-ol
CID 20249727
3-(Icosylamino)propan-1-ol
CID 20249744
3-(Heptadecylamino)propan-1-ol
CID 20249789
2-(2-Hexyldecylamino)ethanol
CID 22068862
4-(11-Methyldodecylamino)butan-1-ol
CID 54193000
3-(3,7-Dimethyloctylamino)propan-1-ol
CID 54562711

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol?
The IUPAC name of 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol (CID 170045462) is 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol?
The canonical SMILES for 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol is CCCCCCC(C)(CCCC)CCNCCCO.
What is the InChIKey of 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol?
The InChIKey is WKVIMBFXURMULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-6-8-9-12-17(3,11-7-5-2)13-15-18-14-10-16-19/h18-19H,4-16H2,1-3H3.
What are the key properties of 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol?
3-[(3-butyl-3-methylnonyl)amino]propan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.52, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butyl-3-methylnonyl)amino]propan-1-ol is sourced from PubChem (CID 170045462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).