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

C13H17N3 — CID 144816457

IUPAC2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=C(N)C=CC1(C)C
InChIInChI=1S/C13H17N3/c1-13(2)7-6-9(14)11(13)12(15)10-5-3-4-8-16-10/h5-8,15H,3-4,14H2,1-2H3/b15-12+
InChIKeyGUSJTNPKGPQAPW-NTCAYCPXSA-N
MW215.30 g/mol
LogP2.56
Rot. Bonds2

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

2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 144816457) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID144816457
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
SMILES[H]/N=C(\C1=CCCC=N1)C1=C(N)C=CC1(C)C
InChIInChI=1S/C13H17N3/c1-13(2)7-6-9(14)11(13)12(15)10-5-3-4-8-16-10/h5-8,15H,3-4,14H2,1-2H3/b15-12+
InChIKeyGUSJTNPKGPQAPW-NTCAYCPXSA-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

5-tert-butyl-4H-indol-6-amine
CID 67269998
5-Tert-butyl-4,5-dihydroindol-6-imine
CID 123798017
3-Tert-butyl-4,6-dihydroindol-5-imine
CID 123975434
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
(2E)-2-[(4Z)-4-ethylidene-2-methyl-3H-pyrrol-5-ylidene]ethanimine
CID 141785806
(5Z,6E)-3,3-dimethyl-6-[(Z)-pent-2-enylidene]-5-propylidene-4H-pyridine
CID 144387326
2-(3,4-Dihydropyridine-6-carboximidoyl)-5,5-dimethylcyclopenta-1,3-dien-1-amine
CID 144816219
5-(3,4-Dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine
CID 144816350
(3Z)-3-[(Z)-but-2-enylidene]-4-tert-butyl-2-methylidenepyridine
CID 170122965
(E)-4-N-[1-(3,4-dihydro-2H-azepin-5-yl)ethenyl]-3-ethenylpent-2-ene-1,4-diimine
CID 145333985
7-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 158512302

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine (CID 144816457) is 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine is [H]/N=C(\C1=CCCC=N1)C1=C(N)C=CC1(C)C.
What is the InChIKey of 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is GUSJTNPKGPQAPW-NTCAYCPXSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)7-6-9(14)11(13)12(15)10-5-3-4-8-16-10/h5-8,15H,3-4,14H2,1-2H3/b15-12+.
What are the key properties of 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine?
2-(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 2-(3,4-dihydropyridine-6-carboximidoyl)-3,3-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 144816457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).