5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine

C8H11N — CID 138614470

IUPAC5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC=C(N)C2CC12
InChIInChI=1S/C8H11N/c1-5-2-3-8(9)7-4-6(5)7/h2-3,6-7H,4,9H2,1H3
InChIKeyNIMBPOIOPLWGEL-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.42
Rot. Bonds

About 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine

5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine (PubChem CID 138614470) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine.

Molecular Properties

Compound Name5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
PubChem CID138614470
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
SMILESCC1=CC=C(N)C2CC12
InChIInChI=1S/C8H11N/c1-5-2-3-8(9)7-4-6(5)7/h2-3,6-7H,4,9H2,1H3
InChIKeyNIMBPOIOPLWGEL-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene
CID 143326250
2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene
CID 164596184
5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
CID 89088056
2-amino-5,6-dimethylcyclohepta-2,4-diene-1-carbonitrile
CID 137427603
3-methylbicyclo[2.1.0]pent-2-en-2-amine
CID 163849087
2-methylbicyclo[4.1.0]hepta-2,4-diene
CID 123235064
2,5-dimethylcyclopenta-2,4-diene-1-carboxamide
CID 101214763
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
CID 123483925
4-methyl-2,3,3a,7a-tetrahydro-1-benzothiophen-2-amine
CID 54462445
1,1-bis(2,4,7-trimethyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl)silolane;carbanide;hafnium(4+)
CID 162286835
4-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 89217026
bis(4,7-dimethyl-2,3,3a,7a-tetrahydro-1H-inden-3-ide);zirconium(4+);dichloride
CID 87376965

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The IUPAC name of 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine (CID 138614470) is 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine.
What is the SMILES notation for 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The canonical SMILES for 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine is CC1=CC=C(N)C2CC12.
What is the InChIKey of 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
The InChIKey is NIMBPOIOPLWGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-5-2-3-8(9)7-4-6(5)7/h2-3,6-7H,4,9H2,1H3.
What are the key properties of 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine?
5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine has a molecular weight of 121.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine is sourced from PubChem (CID 138614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).