1-(butylamino)-3-(dimethylamino)propan-2-ol

C9H22N2O — CID 60897874

IUPAC1-(butylamino)-3-(dimethylamino)propan-2-ol
SMILESCCCCNCC(O)CN(C)C
InChIInChI=1S/C9H22N2O/c1-4-5-6-10-7-9(12)8-11(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyNITLWCHZLFULCA-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.30
Rot. Bonds7

About 1-(butylamino)-3-(dimethylamino)propan-2-ol

1-(butylamino)-3-(dimethylamino)propan-2-ol (PubChem CID 60897874) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(butylamino)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-(dimethylamino)propan-2-ol
PubChem CID60897874
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-(butylamino)-3-(dimethylamino)propan-2-ol
SMILESCCCCNCC(O)CN(C)C
InChIInChI=1S/C9H22N2O/c1-4-5-6-10-7-9(12)8-11(2)3/h9-10,12H,4-8H2,1-3H3
InChIKeyNITLWCHZLFULCA-UHFFFAOYSA-N
XLogP0.30
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62991874
1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
CID 116643835
1-(octadecylamino)butan-2-ol
CID 174541083
1-(pentylamino)propan-2-ol
CID 3016247
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
(2R)-3-(dodecylamino)propane-1,2-diol
CID 98095014
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(butylamino)-3-(dimethylamino)propan-2-ol (CID 60897874) is 1-(butylamino)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(butylamino)-3-(dimethylamino)propan-2-ol is CCCCNCC(O)CN(C)C.
What is the InChIKey of 1-(butylamino)-3-(dimethylamino)propan-2-ol?
The InChIKey is NITLWCHZLFULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-5-6-10-7-9(12)8-11(2)3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(butylamino)-3-(dimethylamino)propan-2-ol?
1-(butylamino)-3-(dimethylamino)propan-2-ol has a molecular weight of 174.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 60897874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).