2,5-dimethyl-3,4-dihydropyridin-3-amine

C7H12N2 — CID 177034973

IUPAC2,5-dimethyl-3,4-dihydropyridin-3-amine
SMILESCC1=CN=C(C)C(N)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)6(2)9-4-5/h4,7H,3,8H2,1-2H3
InChIKeyBCNHQRCQXNTAIM-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds

About 2,5-dimethyl-3,4-dihydropyridin-3-amine

2,5-dimethyl-3,4-dihydropyridin-3-amine (PubChem CID 177034973) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,5-dimethyl-3,4-dihydropyridin-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-3,4-dihydropyridin-3-amine
PubChem CID177034973
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,5-dimethyl-3,4-dihydropyridin-3-amine
SMILESCC1=CN=C(C)C(N)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(8)6(2)9-4-5/h4,7H,3,8H2,1-2H3
InChIKeyBCNHQRCQXNTAIM-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3,4-dihydropyridin-3-amine?
The IUPAC name of 2,5-dimethyl-3,4-dihydropyridin-3-amine (CID 177034973) is 2,5-dimethyl-3,4-dihydropyridin-3-amine.
What is the SMILES notation for 2,5-dimethyl-3,4-dihydropyridin-3-amine?
The canonical SMILES for 2,5-dimethyl-3,4-dihydropyridin-3-amine is CC1=CN=C(C)C(N)C1.
What is the InChIKey of 2,5-dimethyl-3,4-dihydropyridin-3-amine?
The InChIKey is BCNHQRCQXNTAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-7(8)6(2)9-4-5/h4,7H,3,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-3,4-dihydropyridin-3-amine?
2,5-dimethyl-3,4-dihydropyridin-3-amine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3,4-dihydropyridin-3-amine is sourced from PubChem (CID 177034973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).