N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine

C9H15N — CID 562657

IUPACN,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine
SMILESCN(C)C1C=CC2CCC21
InChIInChI=1S/C9H15N/c1-10(2)9-6-4-7-3-5-8(7)9/h4,6-9H,3,5H2,1-2H3
InChIKeyWSSIOBSLGABBRQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.51
Rot. Bonds1

About N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine

N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine (PubChem CID 562657) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine.

Molecular Properties

Compound NameN,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine
PubChem CID562657
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine
SMILESCN(C)C1C=CC2CCC21
InChIInChI=1S/C9H15N/c1-10(2)9-6-4-7-3-5-8(7)9/h4,6-9H,3,5H2,1-2H3
InChIKeyWSSIOBSLGABBRQ-UHFFFAOYSA-N
XLogP1.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.51
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[3.2.0]hept-3-en-2-amine?
The IUPAC name of N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine (CID 562657) is N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine.
What is the SMILES notation for N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine?
The canonical SMILES for N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine is CN(C)C1C=CC2CCC21.
What is the InChIKey of N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine?
The InChIKey is WSSIOBSLGABBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-10(2)9-6-4-7-3-5-8(7)9/h4,6-9H,3,5H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine?
N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine has a molecular weight of 137.23 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[3.2.0]hept-3-en-2-amine is sourced from PubChem (CID 562657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).