1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine

C8H12N2 — CID 20872993

IUPAC1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine
SMILESCC/N=C/C1=CC=CCN1
InChIInChI=1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,7,10H,2,6H2,1H3/b9-7+
InChIKeyPDTMGLZYUNFMEQ-VQHVLOKHSA-N
MW136.20 g/mol
LogP1.12
Rot. Bonds2

About 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine

1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine (PubChem CID 20872993) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine
PubChem CID20872993
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine
SMILESCC/N=C/C1=CC=CCN1
InChIInChI=1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,7,10H,2,6H2,1H3/b9-7+
InChIKeyPDTMGLZYUNFMEQ-VQHVLOKHSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-1-en-2-yl-2H-pyridin-2-id-5-amine;yttrium
CID 60086360
(Z)-1-(1,2-dihydropyrazin-6-yl)prop-1-en-2-amine
CID 68092066
(2E,4Z)-1-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
CID 88547835
(3Z,5Z)-4-(ethylideneamino)-N-methylhepta-1,3,5-trien-3-amine
CID 88986330
(1-propyl-2H-pyridin-6-yl)methanimine
CID 90976565
(2E)-N-methyl-3-piperazin-1-ylpenta-2,4-dien-1-imine
CID 117943486
(2E,4Z)-1-ethylimino-N-methylhexa-2,4-dien-3-amine
CID 122431049
(1-ethyl-2H-pyridin-6-yl)methanimine
CID 123557892
(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695562
(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695578
6-Methanimidoyl-1,2-dihydropyridin-5-amine
CID 130336519
(2Z)-3-(ethylideneamino)-N-methyl-1-methyliminopenta-2,4-dien-2-amine
CID 132123445

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine?
The IUPAC name of 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine (CID 20872993) is 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine.
What is the SMILES notation for 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine?
The canonical SMILES for 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine is CC/N=C/C1=CC=CCN1.
What is the InChIKey of 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine?
The InChIKey is PDTMGLZYUNFMEQ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-5,7,10H,2,6H2,1H3/b9-7+.
What are the key properties of 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine?
1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine has a molecular weight of 136.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-6-yl)-N-ethylmethanimine is sourced from PubChem (CID 20872993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).