N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine

C10H15N — CID 578316

IUPACN,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine
SMILESCN(C)C1=CC2C=CC1CC2
InChIInChI=1S/C10H15N/c1-11(2)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3
InChIKeyMBCXJWWNNXHDRS-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.03
Rot. Bonds1

About N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine

N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine (PubChem CID 578316) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine.

Molecular Properties

Compound NameN,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine
PubChem CID578316
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine
SMILESCN(C)C1=CC2C=CC1CC2
InChIInChI=1S/C10H15N/c1-11(2)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3
InChIKeyMBCXJWWNNXHDRS-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine?
The IUPAC name of N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine (CID 578316) is N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine.
What is the SMILES notation for N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine?
The canonical SMILES for N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine is CN(C)C1=CC2C=CC1CC2.
What is the InChIKey of N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine?
The InChIKey is MBCXJWWNNXHDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-11(2)10-7-8-3-5-9(10)6-4-8/h3,5,7-9H,4,6H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine?
N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine has a molecular weight of 149.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[2.2.2]octa-2,5-dien-2-amine is sourced from PubChem (CID 578316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).