N-benzylpyridin-3-amine;dihydrochloride

C12H14Cl2N2 — CID 71432393

IUPACN-benzylpyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CNc2cccnc2)cc1
InChIInChI=1S/C12H12N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h1-8,10,14H,9H2;2*1H
InChIKeySZZRNRHOFYABKA-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.54
Rot. Bonds3

About N-benzylpyridin-3-amine;dihydrochloride

N-benzylpyridin-3-amine;dihydrochloride (PubChem CID 71432393) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is N-benzylpyridin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-benzylpyridin-3-amine;dihydrochloride
PubChem CID71432393
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC NameN-benzylpyridin-3-amine;dihydrochloride
SMILESCl.Cl.c1ccc(CNc2cccnc2)cc1
InChIInChI=1S/C12H12N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h1-8,10,14H,9H2;2*1H
InChIKeySZZRNRHOFYABKA-UHFFFAOYSA-N
XLogP3.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(4-fluorophenyl)methyl]pyridin-3-amine
CID 14720329
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
CID 163931246
CID 163931246
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-phenylmethoxypyridin-3-amine;dihydrochloride
CID 141050339
N-[2-[1-(benzylamino)cyclopropyl]ethyl]pyridin-3-amine
CID 91068579
5-N-benzyl-2-N-pyridin-3-yl-3H-benzimidazole-2,5-diamine
CID 15230291
N-benzyl-5-chloropyridin-3-amine
CID 146273772
N-[(5-bromothiophen-3-yl)methyl]pyridin-3-amine
CID 43646901
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595

Frequently Asked Questions

What is the IUPAC name of N-benzylpyridin-3-amine;dihydrochloride?
The IUPAC name of N-benzylpyridin-3-amine;dihydrochloride (CID 71432393) is N-benzylpyridin-3-amine;dihydrochloride.
What is the SMILES notation for N-benzylpyridin-3-amine;dihydrochloride?
The canonical SMILES for N-benzylpyridin-3-amine;dihydrochloride is Cl.Cl.c1ccc(CNc2cccnc2)cc1.
What is the InChIKey of N-benzylpyridin-3-amine;dihydrochloride?
The InChIKey is SZZRNRHOFYABKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.2ClH/c1-2-5-11(6-3-1)9-14-12-7-4-8-13-10-12;;/h1-8,10,14H,9H2;2*1H.
What are the key properties of N-benzylpyridin-3-amine;dihydrochloride?
N-benzylpyridin-3-amine;dihydrochloride has a molecular weight of 257.16 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpyridin-3-amine;dihydrochloride is sourced from PubChem (CID 71432393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).