4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride

C8H16Cl2N4 — CID 45263121

IUPAC4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride
SMILESCNc1cncc(NC)c1CN.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-10-7-4-12-5-8(11-2)6(7)3-9;;/h4-5,10-11H,3,9H2,1-2H3;2*1H
InChIKeyRBGPLCZQGWZUFE-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.47
Rot. Bonds3

About 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride

4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride (PubChem CID 45263121) has the molecular formula C8H16Cl2N4 and a molecular weight of 239.15 g/mol. Its IUPAC name is 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride
PubChem CID45263121
Molecular FormulaC8H16Cl2N4
Molecular Weight239.15 g/mol
Exact Mass238.08
IUPAC Name4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride
SMILESCNc1cncc(NC)c1CN.Cl.Cl
InChIInChI=1S/C8H14N4.2ClH/c1-10-7-4-12-5-8(11-2)6(7)3-9;;/h4-5,10-11H,3,9H2,1-2H3;2*1H
InChIKeyRBGPLCZQGWZUFE-UHFFFAOYSA-N
XLogP1.47
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride (CID 45263121) is 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride is CNc1cncc(NC)c1CN.Cl.Cl.
What is the InChIKey of 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride?
The InChIKey is RBGPLCZQGWZUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4.2ClH/c1-10-7-4-12-5-8(11-2)6(7)3-9;;/h4-5,10-11H,3,9H2,1-2H3;2*1H.
What are the key properties of 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride?
4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-N,5-N-dimethylpyridine-3,5-diamine;dihydrochloride is sourced from PubChem (CID 45263121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).