4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine

C8H15N3 — CID 138702814

IUPAC4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine
SMILESCNC1=CC(C(C)N)=CCN1
InChIInChI=1S/C8H15N3/c1-6(9)7-3-4-11-8(5-7)10-2/h3,5-6,10-11H,4,9H2,1-2H3
InChIKeyLTFXWPSVVWNEGF-UHFFFAOYSA-N
MW153.23 g/mol
LogP-0.08
Rot. Bonds2

About 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine

4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine (PubChem CID 138702814) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine
PubChem CID138702814
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine
SMILESCNC1=CC(C(C)N)=CCN1
InChIInChI=1S/C8H15N3/c1-6(9)7-3-4-11-8(5-7)10-2/h3,5-6,10-11H,4,9H2,1-2H3
InChIKeyLTFXWPSVVWNEGF-UHFFFAOYSA-N
XLogP-0.08
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine?
The IUPAC name of 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine (CID 138702814) is 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine is CNC1=CC(C(C)N)=CCN1.
What is the InChIKey of 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine?
The InChIKey is LTFXWPSVVWNEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6(9)7-3-4-11-8(5-7)10-2/h3,5-6,10-11H,4,9H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine?
4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine has a molecular weight of 153.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-methyl-1,2-dihydropyridin-6-amine is sourced from PubChem (CID 138702814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).