1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine

C8H15N3 — CID 155132108

IUPAC1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine
SMILESCC1C=C(C(N)CN)N=CC1
InChIInChI=1S/C8H15N3/c1-6-2-3-11-8(4-6)7(10)5-9/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeyIVILWORUTHEFQO-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.27
Rot. Bonds2

About 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine

1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine (PubChem CID 155132108) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine
PubChem CID155132108
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine
SMILESCC1C=C(C(N)CN)N=CC1
InChIInChI=1S/C8H15N3/c1-6-2-3-11-8(4-6)7(10)5-9/h3-4,6-7H,2,5,9-10H2,1H3
InChIKeyIVILWORUTHEFQO-UHFFFAOYSA-N
XLogP0.27
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine (CID 155132108) is 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine is CC1C=C(C(N)CN)N=CC1.
What is the InChIKey of 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine?
The InChIKey is IVILWORUTHEFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-2-3-11-8(4-6)7(10)5-9/h3-4,6-7H,2,5,9-10H2,1H3.
What are the key properties of 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine?
1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4-dihydropyridin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 155132108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).