N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine

C20H24N4+2 — CID 7430409

IUPACN-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine
SMILESCc1cc(CNc2cccc[nH+]2)c(C)cc1CNc1cccc[nH+]1
InChIInChI=1S/C20H22N4/c1-15-11-18(14-24-20-8-4-6-10-22-20)16(2)12-17(15)13-23-19-7-3-5-9-21-19/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/p+2
InChIKeyGFXCKZKWESCYOD-UHFFFAOYSA-P
MW320.44 g/mol
LogP3.16
Rot. Bonds6

About N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine

N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine (PubChem CID 7430409) has the molecular formula C20H24N4+2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine
PubChem CID7430409
Molecular FormulaC20H24N4+2
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine
SMILESCc1cc(CNc2cccc[nH+]2)c(C)cc1CNc1cccc[nH+]1
InChIInChI=1S/C20H22N4/c1-15-11-18(14-24-20-8-4-6-10-22-20)16(2)12-17(15)13-23-19-7-3-5-9-21-19/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/p+2
InChIKeyGFXCKZKWESCYOD-UHFFFAOYSA-P
XLogP3.16
TPSA52.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine with MolForge

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Related Compounds

5-methoxy-2-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 7282837
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
N-[[3-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine diperchlorate
CID 139196059
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
hydrogen sulfate;N-[[4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine;dihydrate
CID 139080211
2-propan-2-yl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43759441
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
2-methylsulfonyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43786959
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
4-iodo-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773251
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine?
The IUPAC name of N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine (CID 7430409) is N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine.
What is the SMILES notation for N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine?
The canonical SMILES for N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine is Cc1cc(CNc2cccc[nH+]2)c(C)cc1CNc1cccc[nH+]1.
What is the InChIKey of N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine?
The InChIKey is GFXCKZKWESCYOD-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H22N4/c1-15-11-18(14-24-20-8-4-6-10-22-20)16(2)12-17(15)13-23-19-7-3-5-9-21-19/h3-12H,13-14H2,1-2H3,(H,21,23)(H,22,24)/p+2.
What are the key properties of N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine?
N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine has a molecular weight of 320.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-4-[(pyridin-1-ium-2-ylamino)methyl]phenyl]methyl]pyridin-1-ium-2-amine is sourced from PubChem (CID 7430409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).