2-methylpentane-2,3-diamine;dihydrochloride

C6H18Cl2N2 — CID 18768407

IUPAC2-methylpentane-2,3-diamine;dihydrochloride
SMILESCCC(N)C(C)(C)N.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-4-5(7)6(2,3)8;;/h5H,4,7-8H2,1-3H3;2*1H
InChIKeyILGWSQKLYREPDZ-UHFFFAOYSA-N
MW189.13 g/mol
LogP1.30
Rot. Bonds2

About 2-methylpentane-2,3-diamine;dihydrochloride

2-methylpentane-2,3-diamine;dihydrochloride (PubChem CID 18768407) has the molecular formula C6H18Cl2N2 and a molecular weight of 189.13 g/mol. Its IUPAC name is 2-methylpentane-2,3-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methylpentane-2,3-diamine;dihydrochloride
PubChem CID18768407
Molecular FormulaC6H18Cl2N2
Molecular Weight189.13 g/mol
Exact Mass188.08
IUPAC Name2-methylpentane-2,3-diamine;dihydrochloride
SMILESCCC(N)C(C)(C)N.Cl.Cl
InChIInChI=1S/C6H16N2.2ClH/c1-4-5(7)6(2,3)8;;/h5H,4,7-8H2,1-3H3;2*1H
InChIKeyILGWSQKLYREPDZ-UHFFFAOYSA-N
XLogP1.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.13
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-2,3-diamine;dihydrochloride?
The IUPAC name of 2-methylpentane-2,3-diamine;dihydrochloride (CID 18768407) is 2-methylpentane-2,3-diamine;dihydrochloride.
What is the SMILES notation for 2-methylpentane-2,3-diamine;dihydrochloride?
The canonical SMILES for 2-methylpentane-2,3-diamine;dihydrochloride is CCC(N)C(C)(C)N.Cl.Cl.
What is the InChIKey of 2-methylpentane-2,3-diamine;dihydrochloride?
The InChIKey is ILGWSQKLYREPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.2ClH/c1-4-5(7)6(2,3)8;;/h5H,4,7-8H2,1-3H3;2*1H.
What are the key properties of 2-methylpentane-2,3-diamine;dihydrochloride?
2-methylpentane-2,3-diamine;dihydrochloride has a molecular weight of 189.13 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-2,3-diamine;dihydrochloride is sourced from PubChem (CID 18768407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).