N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine

C9H16N2 — CID 89138871

IUPACN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
SMILESCNC1=CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3
InChIKeyITHPRAKILYVZKC-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.96
Rot. Bonds1

About N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine

N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine (PubChem CID 89138871) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine.

Molecular Properties

Compound NameN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
PubChem CID89138871
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine
SMILESCNC1=CC2CCC(C1)N2C
InChIInChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3
InChIKeyITHPRAKILYVZKC-UHFFFAOYSA-N
XLogP0.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The IUPAC name of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine (CID 89138871) is N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine.
What is the SMILES notation for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The canonical SMILES for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine is CNC1=CC2CCC(C1)N2C.
What is the InChIKey of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
The InChIKey is ITHPRAKILYVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-7-5-8-3-4-9(6-7)11(8)2/h5,8-10H,3-4,6H2,1-2H3.
What are the key properties of N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine?
N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-8-azabicyclo[3.2.1]oct-2-en-3-amine is sourced from PubChem (CID 89138871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).