7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine

C8H10BrN — CID 170108403

IUPAC7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=C(Br)C(N)=C1
InChIInChI=1S/C8H10BrN/c1-6-3-2-4-7(9)8(10)5-6/h3-5H,2,10H2,1H3
InChIKeyUPSNNGCMPUUASS-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.46
Rot. Bonds

About 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine

7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 170108403) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID170108403
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=C(Br)C(N)=C1
InChIInChI=1S/C8H10BrN/c1-6-3-2-4-7(9)8(10)5-6/h3-5H,2,10H2,1H3
InChIKeyUPSNNGCMPUUASS-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-2-fluoro-5-methylcyclohepta-1,4,6-trien-1-amine
CID 142849105
4-Fluoro-3,7-dimethylcyclohepta-1,3,6-trien-1-amine
CID 144070205
(3Z,5E)-5-bromo-7-methylidenenona-3,5-dien-3-amine
CID 88265548
(2E,4Z)-4-methylhepta-2,4,6-trien-3-amine
CID 89076271
(2E,4Z,5Z)-4-ethylideneocta-2,5,7-trien-3-amine
CID 89088710
(3Z,5Z)-3-methylocta-1,3,5-trien-2-amine
CID 89217865
5-Methylcyclohepta-1,3,4,6-tetraen-1-amine
CID 89271754
(2E,4Z)-4-methylhepta-2,4-dien-3-amine
CID 89299699
(3E)-5,6-dimethylhepta-1,3,5-trien-4-amine
CID 89513148
2-bromo-2,4,6-trimethyl-1H-pyridine
CID 90353152
6-Bromo-3,4-dimethylidenecyclohexa-1,5-dien-1-amine
CID 123809506
(2Z,4Z,6E)-3-bromo-7-methylnona-2,4,6-trien-2-amine
CID 124185479

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine (CID 170108403) is 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine is CC1=CCC=C(Br)C(N)=C1.
What is the InChIKey of 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is UPSNNGCMPUUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-6-3-2-4-7(9)8(10)5-6/h3-5H,2,10H2,1H3.
What are the key properties of 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine?
7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 200.08 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 170108403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).