bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride

C10H30Cl2N4 — CID 173033128

IUPACbis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
SMILESCN(C)CCCN.CN(C)CCCN.Cl.Cl
InChIInChI=1S/2C5H14N2.2ClH/c2*1-7(2)5-3-4-6;;/h2*3-6H2,1-2H3;2*1H
InChIKeyBMRYPVXCCQLFTE-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.64
Rot. Bonds6

About bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride

bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride (PubChem CID 173033128) has the molecular formula C10H30Cl2N4 and a molecular weight of 277.28 g/mol. Its IUPAC name is bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride.

Molecular Properties

Compound Namebis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
PubChem CID173033128
Molecular FormulaC10H30Cl2N4
Molecular Weight277.28 g/mol
Exact Mass276.18
IUPAC Namebis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
SMILESCN(C)CCCN.CN(C)CCCN.Cl.Cl
InChIInChI=1S/2C5H14N2.2ClH/c2*1-7(2)5-3-4-6;;/h2*3-6H2,1-2H3;2*1H
InChIKeyBMRYPVXCCQLFTE-UHFFFAOYSA-N
XLogP0.64
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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'-[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
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N',N'-dimethylpropane-1,3-diamine;4-methylpentan-2-amine
CID 19050558
2-amino-1-(dimethylamino)ethanol;N',N'-dimethylpropane-1,3-diamine
CID 161126374
N'-cyclopropyl-N'-[3-(dimethylamino)propyl]propane-1,3-diamine
CID 114524959
N-(3-aminopropyl)-N',N'-dimethylhexane-1,6-diamine
CID 23461237

Frequently Asked Questions

What is the IUPAC name of bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride?
The IUPAC name of bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride (CID 173033128) is bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride.
What is the SMILES notation for bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride?
The canonical SMILES for bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride is CN(C)CCCN.CN(C)CCCN.Cl.Cl.
What is the InChIKey of bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride?
The InChIKey is BMRYPVXCCQLFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H14N2.2ClH/c2*1-7(2)5-3-4-6;;/h2*3-6H2,1-2H3;2*1H.
What are the key properties of bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride?
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride has a molecular weight of 277.28 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride is sourced from PubChem (CID 173033128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).