N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

C9H13N — CID 143038917

IUPACN,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCN(C)C1=CC2CC2C=C1
InChIInChI=1S/C9H13N/c1-10(2)9-4-3-7-5-8(7)6-9/h3-4,6-8H,5H2,1-2H3
InChIKeyWUWLFEWHYWRBIC-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.64
Rot. Bonds1

About N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 143038917) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound NameN,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID143038917
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCN(C)C1=CC2CC2C=C1
InChIInChI=1S/C9H13N/c1-10(2)9-4-3-7-5-8(7)6-9/h3-4,6-8H,5H2,1-2H3
InChIKeyWUWLFEWHYWRBIC-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 143038917) is N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is CN(C)C1=CC2CC2C=C1.
What is the InChIKey of N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is WUWLFEWHYWRBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-10(2)9-4-3-7-5-8(7)6-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 135.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 143038917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).