N-methyl-3,4-dihydropyridin-5-amine

C6H10N2 — CID 89101512

IUPACN-methyl-3,4-dihydropyridin-5-amine
SMILESCNC1=CN=CCC1
InChIInChI=1S/C6H10N2/c1-7-6-3-2-4-8-5-6/h4-5,7H,2-3H2,1H3
InChIKeyTVDTUHJIIMPBQV-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.91
Rot. Bonds1

About N-methyl-3,4-dihydropyridin-5-amine

N-methyl-3,4-dihydropyridin-5-amine (PubChem CID 89101512) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N-methyl-3,4-dihydropyridin-5-amine.

Molecular Properties

Compound NameN-methyl-3,4-dihydropyridin-5-amine
PubChem CID89101512
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN-methyl-3,4-dihydropyridin-5-amine
SMILESCNC1=CN=CCC1
InChIInChI=1S/C6H10N2/c1-7-6-3-2-4-8-5-6/h4-5,7H,2-3H2,1H3
InChIKeyTVDTUHJIIMPBQV-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4-dihydropyridin-5-amine?
The IUPAC name of N-methyl-3,4-dihydropyridin-5-amine (CID 89101512) is N-methyl-3,4-dihydropyridin-5-amine.
What is the SMILES notation for N-methyl-3,4-dihydropyridin-5-amine?
The canonical SMILES for N-methyl-3,4-dihydropyridin-5-amine is CNC1=CN=CCC1.
What is the InChIKey of N-methyl-3,4-dihydropyridin-5-amine?
The InChIKey is TVDTUHJIIMPBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-7-6-3-2-4-8-5-6/h4-5,7H,2-3H2,1H3.
What are the key properties of N-methyl-3,4-dihydropyridin-5-amine?
N-methyl-3,4-dihydropyridin-5-amine has a molecular weight of 110.16 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4-dihydropyridin-5-amine is sourced from PubChem (CID 89101512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).