2,5-dimethylhexane-3,4-diamine;dihydrochloride

C8H22Cl2N2 — CID 74404306

IUPAC2,5-dimethylhexane-3,4-diamine;dihydrochloride
SMILESCC(C)C(N)C(N)C(C)C.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-5(2)7(9)8(10)6(3)4;;/h5-8H,9-10H2,1-4H3;2*1H
InChIKeyDBBIHMCJXWNFHF-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.80
Rot. Bonds3

About 2,5-dimethylhexane-3,4-diamine;dihydrochloride

2,5-dimethylhexane-3,4-diamine;dihydrochloride (PubChem CID 74404306) has the molecular formula C8H22Cl2N2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2,5-dimethylhexane-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2,5-dimethylhexane-3,4-diamine;dihydrochloride
PubChem CID74404306
Molecular FormulaC8H22Cl2N2
Molecular Weight217.18 g/mol
Exact Mass216.12
IUPAC Name2,5-dimethylhexane-3,4-diamine;dihydrochloride
SMILESCC(C)C(N)C(N)C(C)C.Cl.Cl
InChIInChI=1S/C8H20N2.2ClH/c1-5(2)7(9)8(10)6(3)4;;/h5-8H,9-10H2,1-4H3;2*1H
InChIKeyDBBIHMCJXWNFHF-UHFFFAOYSA-N
XLogP1.80
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylpentane-1,2-diamine
CID 3064226
(S)-4-methylpentane-1,2-diamine
CID 10942394
2,6-Dimethylheptan-4-amine hydrochloride
CID 23041782
(3S,4S)-2,5-Dimethylhexane-3,4-diamine dihydrochloride
CID 25191804
(3S,4S)-2,5-Dimethylhexane-3,4-diamine
CID 25191805
3-Methylbutane-1,2-diamine dihydrochloride
CID 54592856
2,2,5,5-Tetramethylhexane-3,4-diamine
CID 18175385
2,5-Dimethylhexane-3,4-diamine
CID 13529741
L-1,2-Diamino-4-methylpentane-dichloroplatinum(II)
CID 3064225
4-Ethylhexan-3-amine
CID 3017921
(R,R)-3,4-Diamino-2,2,5,5-tetramethylhexane
CID 11105831
3-Methyl-2-propan-2-ylbutane-1,2-diamine;dihydrochloride
CID 17808420

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylhexane-3,4-diamine;dihydrochloride?
The IUPAC name of 2,5-dimethylhexane-3,4-diamine;dihydrochloride (CID 74404306) is 2,5-dimethylhexane-3,4-diamine;dihydrochloride.
What is the SMILES notation for 2,5-dimethylhexane-3,4-diamine;dihydrochloride?
The canonical SMILES for 2,5-dimethylhexane-3,4-diamine;dihydrochloride is CC(C)C(N)C(N)C(C)C.Cl.Cl.
What is the InChIKey of 2,5-dimethylhexane-3,4-diamine;dihydrochloride?
The InChIKey is DBBIHMCJXWNFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.2ClH/c1-5(2)7(9)8(10)6(3)4;;/h5-8H,9-10H2,1-4H3;2*1H.
What are the key properties of 2,5-dimethylhexane-3,4-diamine;dihydrochloride?
2,5-dimethylhexane-3,4-diamine;dihydrochloride has a molecular weight of 217.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexane-3,4-diamine;dihydrochloride is sourced from PubChem (CID 74404306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).