(6Z)-2-methyl-4,5-dihydroazocin-3-amine

C8H12N2 — CID 123323292

IUPAC(6Z)-2-methyl-4,5-dihydroazocin-3-amine
SMILESCC1=C(N)CC/C=C\C=N/1
InChIInChI=1S/C8H12N2/c1-7-8(9)5-3-2-4-6-10-7/h2,4,6H,3,5,9H2,1H3/b4-2-,8-7?,10-6-
InChIKeyWKTYEFMHTIXNCS-UWHYAANUSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds

About (6Z)-2-methyl-4,5-dihydroazocin-3-amine

(6Z)-2-methyl-4,5-dihydroazocin-3-amine (PubChem CID 123323292) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (6Z)-2-methyl-4,5-dihydroazocin-3-amine.

Molecular Properties

Compound Name(6Z)-2-methyl-4,5-dihydroazocin-3-amine
PubChem CID123323292
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(6Z)-2-methyl-4,5-dihydroazocin-3-amine
SMILESCC1=C(N)CC/C=C\C=N/1
InChIInChI=1S/C8H12N2/c1-7-8(9)5-3-2-4-6-10-7/h2,4,6H,3,5,9H2,1H3/b4-2-,8-7?,10-6-
InChIKeyWKTYEFMHTIXNCS-UWHYAANUSA-N
XLogP1.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-methyl-4,5-dihydroazocin-3-amine?
The IUPAC name of (6Z)-2-methyl-4,5-dihydroazocin-3-amine (CID 123323292) is (6Z)-2-methyl-4,5-dihydroazocin-3-amine.
What is the SMILES notation for (6Z)-2-methyl-4,5-dihydroazocin-3-amine?
The canonical SMILES for (6Z)-2-methyl-4,5-dihydroazocin-3-amine is CC1=C(N)CC/C=C\C=N/1.
What is the InChIKey of (6Z)-2-methyl-4,5-dihydroazocin-3-amine?
The InChIKey is WKTYEFMHTIXNCS-UWHYAANUSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-8(9)5-3-2-4-6-10-7/h2,4,6H,3,5,9H2,1H3/b4-2-,8-7?,10-6-.
What are the key properties of (6Z)-2-methyl-4,5-dihydroazocin-3-amine?
(6Z)-2-methyl-4,5-dihydroazocin-3-amine has a molecular weight of 136.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-methyl-4,5-dihydroazocin-3-amine is sourced from PubChem (CID 123323292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).