bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride

C12H28Cl2N2 — CID 174877306

IUPACbis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
SMILESC=C(C)C(C)(C)N.C=C(C)C(C)(C)N.Cl.Cl
InChIInChI=1S/2C6H13N.2ClH/c2*1-5(2)6(3,4)7;;/h2*1,7H2,2-4H3;2*1H
InChIKeyGQHAHFOWYBFEBB-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.44
Rot. Bonds2

About bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride

bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride (PubChem CID 174877306) has the molecular formula C12H28Cl2N2 and a molecular weight of 271.28 g/mol. Its IUPAC name is bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride.

Molecular Properties

Compound Namebis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
PubChem CID174877306
Molecular FormulaC12H28Cl2N2
Molecular Weight271.28 g/mol
Exact Mass270.16
IUPAC Namebis(2,3-dimethylbut-3-en-2-amine);dihydrochloride
SMILESC=C(C)C(C)(C)N.C=C(C)C(C)(C)N.Cl.Cl
InChIInChI=1S/2C6H13N.2ClH/c2*1-5(2)6(3,4)7;;/h2*1,7H2,2-4H3;2*1H
InChIKeyGQHAHFOWYBFEBB-UHFFFAOYSA-N
XLogP3.44
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methylprop-2-ene-1,1-diamine
CID 123338882
2-amino-2-methylpropanethioic S-acid;hydrochloride
CID 135147542
prop-1-en-2-amine;yttrium
CID 158882655
1-aminoethane-1,1-diol;hydrochloride
CID 173034802
3-amino-3-methylbutan-2-one
CID 4913006
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
1,1-dimethoxy-2-methylprop-2-en-1-amine
CID 151876264
2-amino-2-methylpropanamide;dihydrochloride
CID 142633616
2,3-dimethylbut-3-en-2-ylazanide;bis(rutherfordium)
CID 159971843
2-methylprop-2-ene-1,1,1-triol
CID 14026294
2-hydrazinyl-3-methylbut-3-en-2-ol
CID 3027769
2-methyl-3-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
CID 143586756

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride?
The IUPAC name of bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride (CID 174877306) is bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride.
What is the SMILES notation for bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride?
The canonical SMILES for bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride is C=C(C)C(C)(C)N.C=C(C)C(C)(C)N.Cl.Cl.
What is the InChIKey of bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride?
The InChIKey is GQHAHFOWYBFEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13N.2ClH/c2*1-5(2)6(3,4)7;;/h2*1,7H2,2-4H3;2*1H.
What are the key properties of bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride?
bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride has a molecular weight of 271.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylbut-3-en-2-amine);dihydrochloride is sourced from PubChem (CID 174877306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).