2-methylpropane-1,3-diamine;dihydrochloride

C4H14Cl2N2 — CID 18961237

IUPAC2-methylpropane-1,3-diamine;dihydrochloride
SMILESCC(CN)CN.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-4(2-5)3-6;;/h4H,2-3,5-6H2,1H3;2*1H
InChIKeyWQZGEXMFIRLYBM-UHFFFAOYSA-N
MW161.08 g/mol
LogP0.38
Rot. Bonds2

About 2-methylpropane-1,3-diamine;dihydrochloride

2-methylpropane-1,3-diamine;dihydrochloride (PubChem CID 18961237) has the molecular formula C4H14Cl2N2 and a molecular weight of 161.08 g/mol. Its IUPAC name is 2-methylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methylpropane-1,3-diamine;dihydrochloride
PubChem CID18961237
Molecular FormulaC4H14Cl2N2
Molecular Weight161.08 g/mol
Exact Mass160.05
IUPAC Name2-methylpropane-1,3-diamine;dihydrochloride
SMILESCC(CN)CN.Cl.Cl
InChIInChI=1S/C4H12N2.2ClH/c1-4(2-5)3-6;;/h4H,2-3,5-6H2,1H3;2*1H
InChIKeyWQZGEXMFIRLYBM-UHFFFAOYSA-N
XLogP0.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Propanediamine, 2-(aminomethyl)-
CID 10313091
Isobutylamine Hydrochloride
CID 12206183
2-Methyl-1,3-propanediamine
CID 14499052
Isobutylaminehydrochloride
CID 21133
(2S)-2-methylbutane-1,4-diamine;dihydrochloride
CID 177800966
2-Methyl-1,3-propandiamine hydrochloride
CID 17851079
2-Ethyl-1,3-propanediamine dihydrochloride
CID 18961239
2-Methylpropane-1,1,3-triamine
CID 21453590
(3-Azanidyl-2-methylpropyl)azanide;dichloroplatinum(2+)
CID 59733831
N,N,1,1,2,3,3,3-octadeuterio-2-(deuteriomethyl)propan-1-amine;hydrochloride
CID 87221137
2-Methylpropan-1-amine;dihydrochloride
CID 87715804
Dichloroplatinum;bis(2-methylpropan-1-amine)
CID 88632171

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of 2-methylpropane-1,3-diamine;dihydrochloride (CID 18961237) is 2-methylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for 2-methylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for 2-methylpropane-1,3-diamine;dihydrochloride is CC(CN)CN.Cl.Cl.
What is the InChIKey of 2-methylpropane-1,3-diamine;dihydrochloride?
The InChIKey is WQZGEXMFIRLYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2.2ClH/c1-4(2-5)3-6;;/h4H,2-3,5-6H2,1H3;2*1H.
What are the key properties of 2-methylpropane-1,3-diamine;dihydrochloride?
2-methylpropane-1,3-diamine;dihydrochloride has a molecular weight of 161.08 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 18961237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).