4,4-dimethylpentane-1,2-diamine;dihydrochloride

C7H20Cl2N2 — CID 91662941

IUPAC4,4-dimethylpentane-1,2-diamine;dihydrochloride
SMILESCC(C)(C)CC(N)CN.Cl.Cl
InChIInChI=1S/C7H18N2.2ClH/c1-7(2,3)4-6(9)5-8;;/h6H,4-5,8-9H2,1-3H3;2*1H
InChIKeyPZQMPMICOWYJIX-UHFFFAOYSA-N
MW203.16 g/mol
LogP1.55
Rot. Bonds2

About 4,4-dimethylpentane-1,2-diamine;dihydrochloride

4,4-dimethylpentane-1,2-diamine;dihydrochloride (PubChem CID 91662941) has the molecular formula C7H20Cl2N2 and a molecular weight of 203.16 g/mol. Its IUPAC name is 4,4-dimethylpentane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4,4-dimethylpentane-1,2-diamine;dihydrochloride
PubChem CID91662941
Molecular FormulaC7H20Cl2N2
Molecular Weight203.16 g/mol
Exact Mass202.10
IUPAC Name4,4-dimethylpentane-1,2-diamine;dihydrochloride
SMILESCC(C)(C)CC(N)CN.Cl.Cl
InChIInChI=1S/C7H18N2.2ClH/c1-7(2,3)4-6(9)5-8;;/h6H,4-5,8-9H2,1-3H3;2*1H
InChIKeyPZQMPMICOWYJIX-UHFFFAOYSA-N
XLogP1.55
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentane-1,2-diamine;dihydrochloride?
The IUPAC name of 4,4-dimethylpentane-1,2-diamine;dihydrochloride (CID 91662941) is 4,4-dimethylpentane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4,4-dimethylpentane-1,2-diamine;dihydrochloride?
The canonical SMILES for 4,4-dimethylpentane-1,2-diamine;dihydrochloride is CC(C)(C)CC(N)CN.Cl.Cl.
What is the InChIKey of 4,4-dimethylpentane-1,2-diamine;dihydrochloride?
The InChIKey is PZQMPMICOWYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.2ClH/c1-7(2,3)4-6(9)5-8;;/h6H,4-5,8-9H2,1-3H3;2*1H.
What are the key properties of 4,4-dimethylpentane-1,2-diamine;dihydrochloride?
4,4-dimethylpentane-1,2-diamine;dihydrochloride has a molecular weight of 203.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 91662941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).