1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine

C8H14N2 — CID 123565992

IUPAC1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1=C(C(C)N)N=CCC1
InChIInChI=1S/C8H14N2/c1-6-4-3-5-10-8(6)7(2)9/h5,7H,3-4,9H2,1-2H3
InChIKeyWTDAVNXSLLRWST-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.47
Rot. Bonds1

About 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine

1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine (PubChem CID 123565992) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine
PubChem CID123565992
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine
SMILESCC1=C(C(C)N)N=CCC1
InChIInChI=1S/C8H14N2/c1-6-4-3-5-10-8(6)7(2)9/h5,7H,3-4,9H2,1-2H3
InChIKeyWTDAVNXSLLRWST-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The IUPAC name of 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine (CID 123565992) is 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine is CC1=C(C(C)N)N=CCC1.
What is the InChIKey of 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine?
The InChIKey is WTDAVNXSLLRWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-4-3-5-10-8(6)7(2)9/h5,7H,3-4,9H2,1-2H3.
What are the key properties of 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine?
1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3,4-dihydropyridin-6-yl)ethanamine is sourced from PubChem (CID 123565992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).