N-ethyl-2,5-dihydropyridin-6-amine

C7H12N2 — CID 56613472

IUPACN-ethyl-2,5-dihydropyridin-6-amine
SMILESCCNC1=NCC=CC1
InChIInChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h3-4H,2,5-6H2,1H3,(H,8,9)
InChIKeyZGBWQHRMALHXSV-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds1

About N-ethyl-2,5-dihydropyridin-6-amine

N-ethyl-2,5-dihydropyridin-6-amine (PubChem CID 56613472) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-ethyl-2,5-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dihydropyridin-6-amine
PubChem CID56613472
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-ethyl-2,5-dihydropyridin-6-amine
SMILESCCNC1=NCC=CC1
InChIInChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h3-4H,2,5-6H2,1H3,(H,8,9)
InChIKeyZGBWQHRMALHXSV-UHFFFAOYSA-N
XLogP0.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-methyl-2,3-dihydro-1H-pyridin-6-imine
CID 163981498
Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2-[(E)-but-1-enyl]-4,5-dihydro-1H-imidazole
CID 15471712
N-ethyl-1-methyl-2,5-dihydropyridin-6-imine
CID 56614380
1-Methyl-2,5-dihydropyridin-6-imine
CID 56616795
N,1-dimethyl-2,5-dihydropyridin-6-imine
CID 56620788
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-propyl-2,5-dihydropyridin-6-amine
CID 56630298
N-propan-2-yl-2,5-dihydropyridin-6-amine
CID 56637934
N-methyl-6-methylimino-2,5-dihydropyridin-1-amine
CID 57320112
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
2-Prop-2-enyl-1,4,5,6-tetrahydropyrimidine
CID 69999765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dihydropyridin-6-amine?
The IUPAC name of N-ethyl-2,5-dihydropyridin-6-amine (CID 56613472) is N-ethyl-2,5-dihydropyridin-6-amine.
What is the SMILES notation for N-ethyl-2,5-dihydropyridin-6-amine?
The canonical SMILES for N-ethyl-2,5-dihydropyridin-6-amine is CCNC1=NCC=CC1.
What is the InChIKey of N-ethyl-2,5-dihydropyridin-6-amine?
The InChIKey is ZGBWQHRMALHXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-8-7-5-3-4-6-9-7/h3-4H,2,5-6H2,1H3,(H,8,9).
What are the key properties of N-ethyl-2,5-dihydropyridin-6-amine?
N-ethyl-2,5-dihydropyridin-6-amine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dihydropyridin-6-amine is sourced from PubChem (CID 56613472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).