1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine

C9H16N2 — CID 163586253

IUPAC1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
SMILESCC1=CCCCN(C)C(N)=C1
InChIInChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3
InChIKeyGLSOOWVEGWPOAW-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.46
Rot. Bonds

About 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine

1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine (PubChem CID 163586253) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine.

Molecular Properties

Compound Name1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
PubChem CID163586253
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine
SMILESCC1=CCCCN(C)C(N)=C1
InChIInChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3
InChIKeyGLSOOWVEGWPOAW-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The IUPAC name of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine (CID 163586253) is 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine.
What is the SMILES notation for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The canonical SMILES for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine is CC1=CCCCN(C)C(N)=C1.
What is the InChIKey of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
The InChIKey is GLSOOWVEGWPOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-5-3-4-6-11(2)9(10)7-8/h5,7H,3-4,6,10H2,1-2H3.
What are the key properties of 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine?
1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine has a molecular weight of 152.24 g/mol, XLogP of 1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3,4-dihydro-2H-azocin-8-amine is sourced from PubChem (CID 163586253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).