7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine

C11H15N — CID 144674698

IUPAC7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESC=CC1=CCC(C)=CC=C1NC
InChIInChI=1S/C11H15N/c1-4-10-7-5-9(2)6-8-11(10)12-3/h4,6-8,12H,1,5H2,2-3H3
InChIKeyIGRGYYZUWVLSGN-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.55
Rot. Bonds2

About 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine

7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 144674698) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID144674698
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESC=CC1=CCC(C)=CC=C1NC
InChIInChI=1S/C11H15N/c1-4-10-7-5-9(2)6-8-11(10)12-3/h4,6-8,12H,1,5H2,2-3H3
InChIKeyIGRGYYZUWVLSGN-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine (CID 144674698) is 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine is C=CC1=CCC(C)=CC=C1NC.
What is the InChIKey of 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is IGRGYYZUWVLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10-7-5-9(2)6-8-11(10)12-3/h4,6-8,12H,1,5H2,2-3H3.
What are the key properties of 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine?
7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 161.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-N,4-dimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 144674698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).