5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine

C12H15N3 — CID 141216323

IUPAC5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine
SMILESCN1C=C(c2cc(N)cc(N)c2)C=CC1
InChIInChI=1S/C12H15N3/c1-15-4-2-3-9(8-15)10-5-11(13)7-12(14)6-10/h2-3,5-8H,4,13-14H2,1H3
InChIKeyXBJXXKPLTAIHGA-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.69
Rot. Bonds1

About 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine

5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine (PubChem CID 141216323) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine
PubChem CID141216323
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine
SMILESCN1C=C(c2cc(N)cc(N)c2)C=CC1
InChIInChI=1S/C12H15N3/c1-15-4-2-3-9(8-15)10-5-11(13)7-12(14)6-10/h2-3,5-8H,4,13-14H2,1H3
InChIKeyXBJXXKPLTAIHGA-UHFFFAOYSA-N
XLogP1.69
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diaminotoluene
CID 13205
3-Ethylaniline
CID 11475
3,5-Diaminotoluene
CID 7951
3-Aminobenzylamine
CID 4628831
Benzenemethanamine, 4-amino-N,N-dimethyl-
CID 308051
3-((S)-1-Propyl-piperidin-3-yl)-phenylamine
CID 10013665
3,5-Diamino-4''-amino-trans-stilbene
CID 49798900
3-(1-Piperidinylmethyl)aniline
CID 6484331
2-((Dimethylamino)methyl)aniline
CID 12586115
3-Methylaminomethylphenylamine
CID 11643936
3-(Prop-1-en-2-yl)aniline
CID 13879152
3-{2-[Methyl-(2-pyrrolidin-1-yl-ethyl)-amino]-ethyl}-phenylamine
CID 401816

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine?
The IUPAC name of 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine (CID 141216323) is 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine?
The canonical SMILES for 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine is CN1C=C(c2cc(N)cc(N)c2)C=CC1.
What is the InChIKey of 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine?
The InChIKey is XBJXXKPLTAIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-4-2-3-9(8-15)10-5-11(13)7-12(14)6-10/h2-3,5-8H,4,13-14H2,1H3.
What are the key properties of 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine?
5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine has a molecular weight of 201.27 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2H-pyridin-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 141216323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).