2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine

C13H17N3 — CID 144816219

IUPAC2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=C(N)C(C)(C)C=C1
InChIInChI=1S/C13H17N3/c1-13(2)7-6-9(12(13)15)11(14)10-5-3-4-8-16-10/h5-8,14H,3-4,15H2,1-2H3/b14-11-
InChIKeySJQLZQXBCWJIOK-KAMYIIQDSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds2

About 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine

2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine (PubChem CID 144816219) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine
PubChem CID144816219
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=C(N)C(C)(C)C=C1
InChIInChI=1S/C13H17N3/c1-13(2)7-6-9(12(13)15)11(14)10-5-3-4-8-16-10/h5-8,14H,3-4,15H2,1-2H3/b14-11-
InChIKeySJQLZQXBCWJIOK-KAMYIIQDSA-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

7-Methylindol-6-imine
CID 69466877
2-methyl-2H-indol-4-amine
CID 89155171
(3Z)-3-[1-(ethylideneamino)ethylidene]pyridin-4-imine
CID 89712822
(6Z)-6-[1-(ethylideneamino)ethylidene]cyclohexa-2,4-dien-1-imine
CID 89712823
(2R)-2-methyl-2H-indol-4-amine
CID 90104418
(4E,7Z)-5-methyl-8-N,6-dimethylideneocta-4,7-diene-3,8-diimine
CID 90943080
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
2,3-Dimethyl-6-(3-methylbut-2-en-2-yl)indol-1-ium-7-amine
CID 123158345
N-[1-[(5Z)-5-butan-2-ylidene-2H-pyridin-4-yl]ethenyl]ethanimine
CID 123728820
(4Z)-5-ethenyl-4-N-ethylidene-3-N,6-dimethylhepta-4,6-diene-3,4-diimine
CID 123747560
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
1-(6-Ethyl-1-azacyclohepta-2,3,5,7-tetraen-2-yl)propan-2-imine
CID 123986703

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine (CID 144816219) is 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine is [H]/N=C(\C1=CCCC=N1)C1=C(N)C(C)(C)C=C1.
What is the InChIKey of 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine?
The InChIKey is SJQLZQXBCWJIOK-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)7-6-9(12(13)15)11(14)10-5-3-4-8-16-10/h5-8,14H,3-4,15H2,1-2H3/b14-11-.
What are the key properties of 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine?
2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-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 2-(3,4-dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 144816219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).