bicyclo[4.1.0]hepta-1,3,5-trien-7-amine

C7H7N — CID 69401659

IUPACbicyclo[4.1.0]hepta-1,3,5-trien-7-amine
SMILESNC1c2ccccc21
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6(5)7/h1-4,7H,8H2
InChIKeyQDMPNMSTDGPCSX-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.05
Rot. Bonds

About bicyclo[4.1.0]hepta-1,3,5-trien-7-amine

bicyclo[4.1.0]hepta-1,3,5-trien-7-amine (PubChem CID 69401659) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is bicyclo[4.1.0]hepta-1,3,5-trien-7-amine.

Molecular Properties

Compound Namebicyclo[4.1.0]hepta-1,3,5-trien-7-amine
PubChem CID69401659
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Namebicyclo[4.1.0]hepta-1,3,5-trien-7-amine
SMILESNC1c2ccccc21
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6(5)7/h1-4,7H,8H2
InChIKeyQDMPNMSTDGPCSX-UHFFFAOYSA-N
XLogP1.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzylamine
CID 7504
1-Phenethylamine
CID 7408
1,4-Benzenedimethanamine
CID 68315
4-Fluorobenzylamine
CID 67326
1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189
Benzhydrylamine
CID 7036
Benzylammonium chloride
CID 2724127
4-Methylbenzylamine
CID 66035
(1S)-1-phenylpropan-1-amine
CID 6993773
1-Phenylpropan-1-amine
CID 18054
1-Phenylpent-4-en-2-amine
CID 20254

Frequently Asked Questions

What is the IUPAC name of bicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The IUPAC name of bicyclo[4.1.0]hepta-1,3,5-trien-7-amine (CID 69401659) is bicyclo[4.1.0]hepta-1,3,5-trien-7-amine.
What is the SMILES notation for bicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The canonical SMILES for bicyclo[4.1.0]hepta-1,3,5-trien-7-amine is NC1c2ccccc21.
What is the InChIKey of bicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
The InChIKey is QDMPNMSTDGPCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c8-7-5-3-1-2-4-6(5)7/h1-4,7H,8H2.
What are the key properties of bicyclo[4.1.0]hepta-1,3,5-trien-7-amine?
bicyclo[4.1.0]hepta-1,3,5-trien-7-amine has a molecular weight of 105.14 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.1.0]hepta-1,3,5-trien-7-amine is sourced from PubChem (CID 69401659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).