(3S)-3-methyl-3,4-dihydropyridin-6-amine

C6H10N2 — CID 89024019

IUPAC(3S)-3-methyl-3,4-dihydropyridin-6-amine
SMILESC[C@@H]1C=NC(N)=CC1
InChIInChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h3-5H,2,7H2,1H3/t5-/m0/s1
InChIKeyBJKGKPLZOHBYRH-YFKPBYRVSA-N
MW110.16 g/mol
LogP0.90
Rot. Bonds

About (3S)-3-methyl-3,4-dihydropyridin-6-amine

(3S)-3-methyl-3,4-dihydropyridin-6-amine (PubChem CID 89024019) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (3S)-3-methyl-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound Name(3S)-3-methyl-3,4-dihydropyridin-6-amine
PubChem CID89024019
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(3S)-3-methyl-3,4-dihydropyridin-6-amine
SMILESC[C@@H]1C=NC(N)=CC1
InChIInChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h3-5H,2,7H2,1H3/t5-/m0/s1
InChIKeyBJKGKPLZOHBYRH-YFKPBYRVSA-N
XLogP0.90
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-3,4-dihydropyridin-6-amine?
The IUPAC name of (3S)-3-methyl-3,4-dihydropyridin-6-amine (CID 89024019) is (3S)-3-methyl-3,4-dihydropyridin-6-amine.
What is the SMILES notation for (3S)-3-methyl-3,4-dihydropyridin-6-amine?
The canonical SMILES for (3S)-3-methyl-3,4-dihydropyridin-6-amine is C[C@@H]1C=NC(N)=CC1.
What is the InChIKey of (3S)-3-methyl-3,4-dihydropyridin-6-amine?
The InChIKey is BJKGKPLZOHBYRH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-3-6(7)8-4-5/h3-5H,2,7H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-3,4-dihydropyridin-6-amine?
(3S)-3-methyl-3,4-dihydropyridin-6-amine has a molecular weight of 110.16 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 89024019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).