(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine

C8H12N2 — CID 177054530

IUPAC(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine
SMILESCC1=C/CC/C=C(N)/C=N\1
InChIInChI=1S/C8H12N2/c1-7-4-2-3-5-8(9)6-10-7/h4-6H,2-3,9H2,1H3/b7-4-,8-5+,10-6-
InChIKeySJWSNCMPPFBVKI-XTWUXGCBSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds

About (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine

(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine (PubChem CID 177054530) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine.

Molecular Properties

Compound Name(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine
PubChem CID177054530
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine
SMILESCC1=C/CC/C=C(N)/C=N\1
InChIInChI=1S/C8H12N2/c1-7-4-2-3-5-8(9)6-10-7/h4-6H,2-3,9H2,1H3/b7-4-,8-5+,10-6-
InChIKeySJWSNCMPPFBVKI-XTWUXGCBSA-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 (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine?
The IUPAC name of (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine (CID 177054530) is (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine.
What is the SMILES notation for (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine?
The canonical SMILES for (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine is CC1=C/CC/C=C(N)/C=N\1.
What is the InChIKey of (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine?
The InChIKey is SJWSNCMPPFBVKI-XTWUXGCBSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-2-3-5-8(9)6-10-7/h4-6H,2-3,9H2,1H3/b7-4-,8-5+,10-6-.
What are the key properties of (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine?
(2Z,6E)-2-methyl-4,5-dihydroazocin-7-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 (2Z,6E)-2-methyl-4,5-dihydroazocin-7-amine is sourced from PubChem (CID 177054530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).