(4-methyl-3,4-dihydropyridin-5-yl)methanamine

C7H12N2 — CID 89365681

IUPAC(4-methyl-3,4-dihydropyridin-5-yl)methanamine
SMILESCC1CC=NC=C1CN
InChIInChI=1S/C7H12N2/c1-6-2-3-9-5-7(6)4-8/h3,5-6H,2,4,8H2,1H3
InChIKeyFOZXJPJMTUTSRU-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.94
Rot. Bonds1

About (4-methyl-3,4-dihydropyridin-5-yl)methanamine

(4-methyl-3,4-dihydropyridin-5-yl)methanamine (PubChem CID 89365681) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (4-methyl-3,4-dihydropyridin-5-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-3,4-dihydropyridin-5-yl)methanamine
PubChem CID89365681
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(4-methyl-3,4-dihydropyridin-5-yl)methanamine
SMILESCC1CC=NC=C1CN
InChIInChI=1S/C7H12N2/c1-6-2-3-9-5-7(6)4-8/h3,5-6H,2,4,8H2,1H3
InChIKeyFOZXJPJMTUTSRU-UHFFFAOYSA-N
XLogP0.94
TPSA38.38 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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3,4-dihydropyridin-5-yl)methanamine?
The IUPAC name of (4-methyl-3,4-dihydropyridin-5-yl)methanamine (CID 89365681) is (4-methyl-3,4-dihydropyridin-5-yl)methanamine.
What is the SMILES notation for (4-methyl-3,4-dihydropyridin-5-yl)methanamine?
The canonical SMILES for (4-methyl-3,4-dihydropyridin-5-yl)methanamine is CC1CC=NC=C1CN.
What is the InChIKey of (4-methyl-3,4-dihydropyridin-5-yl)methanamine?
The InChIKey is FOZXJPJMTUTSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-2-3-9-5-7(6)4-8/h3,5-6H,2,4,8H2,1H3.
What are the key properties of (4-methyl-3,4-dihydropyridin-5-yl)methanamine?
(4-methyl-3,4-dihydropyridin-5-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3,4-dihydropyridin-5-yl)methanamine is sourced from PubChem (CID 89365681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).