3-[2-(dimethylamino)ethylamino]butan-1-ol

C8H20N2O — CID 83176952

IUPAC3-[2-(dimethylamino)ethylamino]butan-1-ol
SMILESCC(CCO)NCCN(C)C
InChIInChI=1S/C8H20N2O/c1-8(4-7-11)9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyGQPCFCOOFYCKBT-UHFFFAOYSA-N
MW160.26 g/mol
LogP-0.09
Rot. Bonds6

About 3-[2-(dimethylamino)ethylamino]butan-1-ol

3-[2-(dimethylamino)ethylamino]butan-1-ol (PubChem CID 83176952) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]butan-1-ol.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]butan-1-ol
PubChem CID83176952
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name3-[2-(dimethylamino)ethylamino]butan-1-ol
SMILESCC(CCO)NCCN(C)C
InChIInChI=1S/C8H20N2O/c1-8(4-7-11)9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyGQPCFCOOFYCKBT-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobutan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 83186512
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-(1-chloropropan-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 65025453
4-[2-[methyl(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 115971792
3-(3-fluoropropylamino)butan-1-ol
CID 83177066
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
3-(ethylamino)butan-1-ol
CID 12636119
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 114525279
4-[4-(dimethylamino)butan-2-ylamino]-2-methylbutan-2-ol
CID 79361609
3-(octylamino)butan-1-ol
CID 83177243
3-[2-(tert-butylamino)ethylamino]butan-1-ol
CID 107446029

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]butan-1-ol?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]butan-1-ol (CID 83176952) is 3-[2-(dimethylamino)ethylamino]butan-1-ol.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]butan-1-ol?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]butan-1-ol is CC(CCO)NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]butan-1-ol?
The InChIKey is GQPCFCOOFYCKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-8(4-7-11)9-5-6-10(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethylamino]butan-1-ol?
3-[2-(dimethylamino)ethylamino]butan-1-ol has a molecular weight of 160.26 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]butan-1-ol is sourced from PubChem (CID 83176952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).