2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine

C8H15N3 — CID 137090868

IUPAC2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
SMILESC/N=C1\CCC=C(CCN)N1
InChIInChI=1S/C8H15N3/c1-10-8-4-2-3-7(11-8)5-6-9/h3H,2,4-6,9H2,1H3,(H,10,11)
InChIKeyWETSPBHCRUZPCR-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.63
Rot. Bonds2

About 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine

2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine (PubChem CID 137090868) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
PubChem CID137090868
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine
SMILESC/N=C1\CCC=C(CCN)N1
InChIInChI=1S/C8H15N3/c1-10-8-4-2-3-7(11-8)5-6-9/h3H,2,4-6,9H2,1H3,(H,10,11)
InChIKeyWETSPBHCRUZPCR-UHFFFAOYSA-N
XLogP0.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 20692444
5-methyl-2-[(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]-4,5-dihydro-1H-imidazole
CID 20692450
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340216
2-(1,2,3,4-Tetrahydropyridin-6-ylmethyl)-1,4,5,6-tetrahydropyrimidine
CID 21340217
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidin-3-ium
CID 21340230
2-[3-(1,2,3,4-Tetrahydropyridin-6-yl)propyl]-1,4,5,6-tetrahydropyrimidine
CID 21340231
2-[(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)methyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidin-3-ium
CID 21340244
2-[2-(1,2,3,4-Tetrahydropyridin-6-yl)ethyl]-1,4,5,6-tetrahydropyrimidine
CID 22886471
2-[2-(2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886477
2-[2-(3,3-dimethyl-2,4-dihydro-1H-pyridin-6-yl)ethyl]-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
CID 22886478
2-[4-(1,2,3,4-Tetrahydropyridin-6-yl)butyl]-1,4,5,6-tetrahydropyrimidine
CID 22886485
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine?
The IUPAC name of 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine (CID 137090868) is 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine?
The canonical SMILES for 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine is C/N=C1\CCC=C(CCN)N1.
What is the InChIKey of 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine?
The InChIKey is WETSPBHCRUZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-10-8-4-2-3-7(11-8)5-6-9/h3H,2,4-6,9H2,1H3,(H,10,11).
What are the key properties of 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine?
2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimino-3,4-dihydro-1H-pyridin-6-yl)ethanamine is sourced from PubChem (CID 137090868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).