3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine

C9H17N3 — CID 163589911

IUPAC3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine
SMILESCC1=CC(C)=NC(N)C1C(C)N
InChIInChI=1S/C9H17N3/c1-5-4-6(2)12-9(11)8(5)7(3)10/h4,7-9H,10-11H2,1-3H3
InChIKeyGOQFXQNPCWUYDF-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.66
Rot. Bonds1

About 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine

3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine (PubChem CID 163589911) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine
PubChem CID163589911
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine
SMILESCC1=CC(C)=NC(N)C1C(C)N
InChIInChI=1S/C9H17N3/c1-5-4-6(2)12-9(11)8(5)7(3)10/h4,7-9H,10-11H2,1-3H3
InChIKeyGOQFXQNPCWUYDF-UHFFFAOYSA-N
XLogP0.66
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-3-ethyl-4-methyliminonon-5-en-1-amine
CID 91420602
(4,6-Dimethyl-2,3-dihydropyridin-3-yl)methanamine
CID 123421069
7-(1-Amino-3-methylbutyl)iminooct-5-en-1-amine
CID 123446462
1-(2,3-Dihydropyridin-6-yl)-5-methyloct-4-en-1-amine
CID 123499287
(E)-2-ethyl-3-methyl-4-[(6-methyl-2-methylidene-3-pyridinylidene)amino]but-3-en-1-amine
CID 135160857
2-Methyl-1-(6-propan-2-yl-2,3-dihydropyridin-3-yl)propan-1-amine
CID 155232081
3-Ethyl-6-methyl-2,3-dihydropyridin-2-amine
CID 156232545
2-(5,7-dimethyl-3,4-dihydro-2H-azepin-2-yl)ethane-1,1-diamine
CID 164159356
(Z)-3-(C,N-dimethylcarbonimidoyl)-5,7-dimethylnon-3-en-1-amine
CID 174354908

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine?
The IUPAC name of 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine (CID 163589911) is 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine?
The canonical SMILES for 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine is CC1=CC(C)=NC(N)C1C(C)N.
What is the InChIKey of 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine?
The InChIKey is GOQFXQNPCWUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-4-6(2)12-9(11)8(5)7(3)10/h4,7-9H,10-11H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine?
3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine has a molecular weight of 167.26 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4,6-dimethyl-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 163589911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).