3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine

C9H13N — CID 163667691

IUPAC3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine
SMILESCC1=CC2CC(N)C2C=C1
InChIInChI=1S/C9H13N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,7-9H,5,10H2,1H3
InChIKeyIZXBARCLIXUMAY-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.47
Rot. Bonds

About 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine

3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine (PubChem CID 163667691) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine.

Molecular Properties

Compound Name3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine
PubChem CID163667691
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine
SMILESCC1=CC2CC(N)C2C=C1
InChIInChI=1S/C9H13N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,7-9H,5,10H2,1H3
InChIKeyIZXBARCLIXUMAY-UHFFFAOYSA-N
XLogP1.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[5-(difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 168874783
1-[5-(Difluoromethyl)-6-fluoro-6-methylcyclohexa-2,4-dien-1-yl]ethanamine
CID 169745712
1-Cyclohexa-2,4-dien-1-ylpropan-2-amine
CID 21445043
6-Propylcyclohexa-2,4-dien-1-amine
CID 67951650
3-(Cyclobutadienyl)butan-1-amine
CID 67990051
3-methyl-2-[(Z)-(6-propan-2-ylidenecyclohexa-2,4-dien-1-ylidene)methyl]cyclobutan-1-amine
CID 88565220
5-ethyl-6-methyl-4-[(1E)-3-methylbuta-1,3-dienyl]cyclohexa-2,4-dien-1-amine
CID 88964796
(1S)-1-(1,7,8,8a-tetrahydronaphthalen-1-yl)ethanamine
CID 88982727
(1S)-1-cyclohexa-2,4-dien-1-ylpropan-1-amine
CID 89055002
trans-(1R,2S)-2-[(1Z,3E)-5-amino-4-methylpenta-1,3-dienyl]-3-methylcyclobutan-1-amine
CID 89057964
1-Cyclohexa-2,4-dien-1-ylethanamine
CID 89159354
(1S)-1-cyclohexa-2,4-dien-1-ylethanamine
CID 89200849

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine?
The IUPAC name of 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine (CID 163667691) is 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine.
What is the SMILES notation for 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine?
The canonical SMILES for 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine is CC1=CC2CC(N)C2C=C1.
What is the InChIKey of 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine?
The InChIKey is IZXBARCLIXUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-6-2-3-8-7(4-6)5-9(8)10/h2-4,7-9H,5,10H2,1H3.
What are the key properties of 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine?
3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine has a molecular weight of 135.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.2.0]octa-2,4-dien-7-amine is sourced from PubChem (CID 163667691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).