1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol

C9H22N2O — CID 143803190

IUPAC1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
SMILESCC(O)N(C)C(C)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(6-7-10(3)4)11(5)9(2)12/h8-9,12H,6-7H2,1-5H3
InChIKeyLTOHGMBLAZNYQT-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds5

About 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol

1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol (PubChem CID 143803190) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
PubChem CID143803190
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol
SMILESCC(O)N(C)C(C)CCN(C)C
InChIInChI=1S/C9H22N2O/c1-8(6-7-10(3)4)11(5)9(2)12/h8-9,12H,6-7H2,1-5H3
InChIKeyLTOHGMBLAZNYQT-UHFFFAOYSA-N
XLogP0.60
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-N,3-N-diethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 91045887
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
1-[1-hydroxyethyl(methyl)amino]ethanol;hydrate
CID 173435253
1-[4-(dimethylamino)butan-2-yl]-1-methylurea;molecular hydrogen
CID 145235896
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
(2S)-4-(dimethylamino)-2-hydroxybutanal
CID 144793391
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
1-N,1-N-dimethylbutane-1,3-diamine;hydrobromide
CID 173333881

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol?
The IUPAC name of 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol (CID 143803190) is 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol.
What is the SMILES notation for 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol?
The canonical SMILES for 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol is CC(O)N(C)C(C)CCN(C)C.
What is the InChIKey of 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol?
The InChIKey is LTOHGMBLAZNYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-8(6-7-10(3)4)11(5)9(2)12/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol?
1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol has a molecular weight of 174.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butan-2-yl-methylamino]ethanol is sourced from PubChem (CID 143803190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).