4-(aminomethyl)pyridin-3-amine;dihydrochloride

C6H11Cl2N3 — CID 11389965

IUPAC4-(aminomethyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1N
InChIInChI=1S/C6H9N3.2ClH/c7-3-5-1-2-9-4-6(5)8;;/h1-2,4H,3,7-8H2;2*1H
InChIKeyHREWBDQQRCHSNJ-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.97
Rot. Bonds1

About 4-(aminomethyl)pyridin-3-amine;dihydrochloride

4-(aminomethyl)pyridin-3-amine;dihydrochloride (PubChem CID 11389965) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 4-(aminomethyl)pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)pyridin-3-amine;dihydrochloride
PubChem CID11389965
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name4-(aminomethyl)pyridin-3-amine;dihydrochloride
SMILESCl.Cl.NCc1ccncc1N
InChIInChI=1S/C6H9N3.2ClH/c7-3-5-1-2-9-4-6(5)8;;/h1-2,4H,3,7-8H2;2*1H
InChIKeyHREWBDQQRCHSNJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)pyridin-3-amine;dihydrochloride?
The IUPAC name of 4-(aminomethyl)pyridin-3-amine;dihydrochloride (CID 11389965) is 4-(aminomethyl)pyridin-3-amine;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)pyridin-3-amine;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)pyridin-3-amine;dihydrochloride is Cl.Cl.NCc1ccncc1N.
What is the InChIKey of 4-(aminomethyl)pyridin-3-amine;dihydrochloride?
The InChIKey is HREWBDQQRCHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c7-3-5-1-2-9-4-6(5)8;;/h1-2,4H,3,7-8H2;2*1H.
What are the key properties of 4-(aminomethyl)pyridin-3-amine;dihydrochloride?
4-(aminomethyl)pyridin-3-amine;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 11389965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).