1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine

C8H14N2 — CID 91119270

IUPAC1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1C=NC(C(C)N)=CC1
InChIInChI=1S/C8H14N2/c1-6-3-4-8(7(2)9)10-5-6/h4-7H,3,9H2,1-2H3
InChIKeyMMXMNNOGFRKDKV-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.33
Rot. Bonds1

About 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine

1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine (PubChem CID 91119270) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
PubChem CID91119270
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1C=NC(C(C)N)=CC1
InChIInChI=1S/C8H14N2/c1-6-3-4-8(7(2)9)10-5-6/h4-7H,3,9H2,1-2H3
InChIKeyMMXMNNOGFRKDKV-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3,6-dimethyl-3,4-dihydropyridine
CID 89130617
5-methyl-2-propan-2-yl-4,5-dihydropyrimidine
CID 138457030
3-methyl-6-propan-2-yl-3,4-dihydropyridazine
CID 89150342
(4R)-4-methyl-4,5-dihydropyridazine
CID 172589325
3-methyl-6-[(E)-pent-1-enyl]-3,4-dihydropyridine
CID 142524122
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
4-methyl-3,4-dihydropyridin-6-amine
CID 89299127
1-fluoro-3-(4-methylcyclohexa-1,5-dien-1-yl)butan-2-amine
CID 134316623
3-methylcyclobutene;sulfane
CID 90110313
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
5-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 155249859
5-chloro-2-methyl-6-propan-2-yl-2,3-dihydropyridine
CID 155273382

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The IUPAC name of 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine (CID 91119270) is 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine.
What is the SMILES notation for 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The canonical SMILES for 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine is CC1C=NC(C(C)N)=CC1.
What is the InChIKey of 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The InChIKey is MMXMNNOGFRKDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-3-4-8(7(2)9)10-5-6/h4-7H,3,9H2,1-2H3.
What are the key properties of 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine?
1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3,4-dihydropyridin-6-yl)ethanamine is sourced from PubChem (CID 91119270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).