5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine

C13H17N3 — CID 144816350

IUPAC5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=CC(C)(C)C=C1N
InChIInChI=1S/C13H17N3/c1-13(2)7-9(10(14)8-13)12(15)11-5-3-4-6-16-11/h5-8,15H,3-4,14H2,1-2H3/b15-12-
InChIKeyDGMXWSXPAWZZCP-QINSGFPZSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds2

About 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine

5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 144816350) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID144816350
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=CC(C)(C)C=C1N
InChIInChI=1S/C13H17N3/c1-13(2)7-9(10(14)8-13)12(15)11-5-3-4-6-16-11/h5-8,15H,3-4,14H2,1-2H3/b15-12-
InChIKeyDGMXWSXPAWZZCP-QINSGFPZSA-N
XLogP2.56
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-Selenadiazolo[3,4-e]indole
CID 129782180
[1,2,5]Thiadiazolo[3,4-e]indole
CID 146680962
5,6-Dihydroindol-4-imine
CID 57269353
7-Methylindol-6-imine
CID 69466877
2-methyl-2H-indol-4-amine
CID 89155171
(2E)-2-(5-methylidene-3,4-dihydropyridin-6-ylidene)ethanimine
CID 89473884
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(2R)-2-methyl-2H-indol-4-amine
CID 90104418
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
(4E)-4-ethylidene-3-N-propylidenenon-2-ene-3,5-diimine
CID 91436110
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
CID 123728820
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine (CID 144816350) is 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine is [H]/N=C(\C1=CCCC=N1)C1=CC(C)(C)C=C1N.
What is the InChIKey of 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is DGMXWSXPAWZZCP-QINSGFPZSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)7-9(10(14)8-13)12(15)11-5-3-4-6-16-11/h5-8,15H,3-4,14H2,1-2H3/b15-12-.
What are the key properties of 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 144816350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).