N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide

C21H26IN3 — CID 137314193

IUPACN-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide
SMILESCC1(C)CC(NCc2ccccc2)=C/C(=N\Cc2ccccc2)N1.I
InChIInChI=1S/C21H25N3.HI/c1-21(2)14-19(22-15-17-9-5-3-6-10-17)13-20(24-21)23-16-18-11-7-4-8-12-18;/h3-13,22H,14-16H2,1-2H3,(H,23,24);1H
InChIKeyUQMCEODTVWDFHH-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.65
Rot. Bonds5

About N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide

N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide (PubChem CID 137314193) has the molecular formula C21H26IN3 and a molecular weight of 447.36 g/mol. Its IUPAC name is N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide.

Molecular Properties

Compound NameN-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide
PubChem CID137314193
Molecular FormulaC21H26IN3
Molecular Weight447.36 g/mol
Exact Mass447.12
IUPAC NameN-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide
SMILESCC1(C)CC(NCc2ccccc2)=C/C(=N\Cc2ccccc2)N1.I
InChIInChI=1S/C21H25N3.HI/c1-21(2)14-19(22-15-17-9-5-3-6-10-17)13-20(24-21)23-16-18-11-7-4-8-12-18;/h3-13,22H,14-16H2,1-2H3,(H,23,24);1H
InChIKeyUQMCEODTVWDFHH-UHFFFAOYSA-N
XLogP4.65
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine
CID 137314194
1-N,4-N-dibenzyl-3,6-bis(benzylimino)cyclohexa-1,4-diene-1,4-diamine
CID 101336824
2-[3-(benzylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 2323401
3-(benzylamino)-1,2-dihydropyrrol-5-one
CID 139223927
2-benzylimino-1-methylimidazolidin-4-one
CID 137219218
methyl (5Z)-4-(benzylamino)-5-benzylidene-2-benzyliminopyrrole-3-carboxylate
CID 135746767
3-[(4-chlorophenyl)methylamino]-5,5-dimethylcyclohex-2-en-1-one
CID 795039
5,5-dimethyl-3-(pyridin-3-ylmethylamino)cyclohex-2-en-1-one
CID 2837108
4-(benzylamino)-5,5-dimethylfuran-2-one
CID 102422900
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
CID 163931246
CID 163931246
2-N,4-N,6-N-tribenzyl-1,3,5-triazine-2,4,6-triamine
CID 11372871

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide?
The IUPAC name of N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide (CID 137314193) is N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide.
What is the SMILES notation for N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide?
The canonical SMILES for N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide is CC1(C)CC(NCc2ccccc2)=C/C(=N\Cc2ccccc2)N1.I.
What is the InChIKey of N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide?
The InChIKey is UQMCEODTVWDFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3.HI/c1-21(2)14-19(22-15-17-9-5-3-6-10-17)13-20(24-21)23-16-18-11-7-4-8-12-18;/h3-13,22H,14-16H2,1-2H3,(H,23,24);1H.
What are the key properties of N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide?
N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide has a molecular weight of 447.36 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-benzylimino-2,2-dimethyl-1,3-dihydropyridin-4-amine;hydroiodide is sourced from PubChem (CID 137314193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).