2,4-dimethylpentane-2,3,4-triamine;trihydrochloride

C7H22Cl3N3 — CID 142691028

IUPAC2,4-dimethylpentane-2,3,4-triamine;trihydrochloride
SMILESCC(C)(N)C(N)C(C)(C)N.Cl.Cl.Cl
InChIInChI=1S/C7H19N3.3ClH/c1-6(2,9)5(8)7(3,4)10;;;/h5H,8-10H2,1-4H3;3*1H
InChIKeyVVKFIBXRBHJXFC-UHFFFAOYSA-N
MW254.63 g/mol
LogP1.05
Rot. Bonds2

About 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride

2,4-dimethylpentane-2,3,4-triamine;trihydrochloride (PubChem CID 142691028) has the molecular formula C7H22Cl3N3 and a molecular weight of 254.63 g/mol. Its IUPAC name is 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride.

Molecular Properties

Compound Name2,4-dimethylpentane-2,3,4-triamine;trihydrochloride
PubChem CID142691028
Molecular FormulaC7H22Cl3N3
Molecular Weight254.63 g/mol
Exact Mass253.09
IUPAC Name2,4-dimethylpentane-2,3,4-triamine;trihydrochloride
SMILESCC(C)(N)C(N)C(C)(C)N.Cl.Cl.Cl
InChIInChI=1S/C7H19N3.3ClH/c1-6(2,9)5(8)7(3,4)10;;;/h5H,8-10H2,1-4H3;3*1H
InChIKeyVVKFIBXRBHJXFC-UHFFFAOYSA-N
XLogP1.05
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.63
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 92133649
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CID 135392697
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CID 3064225
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CID 13629003
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CID 18418765
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CID 18705593
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CID 18768407
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride?
The IUPAC name of 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride (CID 142691028) is 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride.
What is the SMILES notation for 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride?
The canonical SMILES for 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride is CC(C)(N)C(N)C(C)(C)N.Cl.Cl.Cl.
What is the InChIKey of 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride?
The InChIKey is VVKFIBXRBHJXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.3ClH/c1-6(2,9)5(8)7(3,4)10;;;/h5H,8-10H2,1-4H3;3*1H.
What are the key properties of 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride?
2,4-dimethylpentane-2,3,4-triamine;trihydrochloride has a molecular weight of 254.63 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane-2,3,4-triamine;trihydrochloride is sourced from PubChem (CID 142691028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).