2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine

C9H26N4O — CID 161126374

IUPAC2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)C(O)CN.CN(C)CCCN
InChIInChI=1S/C5H14N2.C4H12N2O/c1-7(2)5-3-4-6;1-6(2)4(7)3-5/h3-6H2,1-2H3;4,7H,3,5H2,1-2H3
InChIKeyULPMUJWTANUZAY-UHFFFAOYSA-N
MW206.33 g/mol
LogP-1.28
Rot. Bonds5

About 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine

2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine (PubChem CID 161126374) has the molecular formula C9H26N4O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine
PubChem CID161126374
Molecular FormulaC9H26N4O
Molecular Weight206.33 g/mol
Exact Mass206.21
IUPAC Name2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)C(O)CN.CN(C)CCCN
InChIInChI=1S/C5H14N2.C4H12N2O/c1-7(2)5-3-4-6;1-6(2)4(7)3-5/h3-6H2,1-2H3;4,7H,3,5H2,1-2H3
InChIKeyULPMUJWTANUZAY-UHFFFAOYSA-N
XLogP-1.28
TPSA78.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
N',N'-dimethylethane-1,2-diamine;N',N'-dimethylpropane-1,3-diamine
CID 87642302
N',N'-dimethylicosane-1,20-diamine
CID 54351766
N',N'-dimethylbutane-1,4-diamine;silane
CID 162130960
N',N'-dimethylheptane-1,7-diamine
CID 3822076
N',N'-dimethylpentane-1,5-diamine
CID 3465925
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037
N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
CID 19050558
1-aminopropan-2-ol;1-[bis[3-(dimethylamino)propyl]amino]propan-2-ol
CID 174950006
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine;bis(N',N'-dimethylpropane-1,3-diamine);ethane-1,2-diamine
CID 157170431
1-[bis(3-aminopropyl)amino]propan-2-ol
CID 88627199
N'-methyl-N'-(3-methylbut-2-en-2-yl)propane-1,3-diamine
CID 138727696

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine (CID 161126374) is 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine is CN(C)C(O)CN.CN(C)CCCN.
What is the InChIKey of 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine?
The InChIKey is ULPMUJWTANUZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H12N2O/c1-7(2)5-3-4-6;1-6(2)4(7)3-5/h3-6H2,1-2H3;4,7H,3,5H2,1-2H3.
What are the key properties of 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine?
2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of -1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 161126374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).