7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine

C14H22N2 — CID 134187767

IUPAC7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESC=C(C1=CC(C)=CCC=C1N(C)C)N(C)C
InChIInChI=1S/C14H22N2/c1-11-8-7-9-14(16(5)6)13(10-11)12(2)15(3)4/h8-10H,2,7H2,1,3-6H3
InChIKeyHRPWPVCNNDYETB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.78
Rot. Bonds3

About 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine

7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine (PubChem CID 134187767) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine
PubChem CID134187767
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine
SMILESC=C(C1=CC(C)=CCC=C1N(C)C)N(C)C
InChIInChI=1S/C14H22N2/c1-11-8-7-9-14(16(5)6)13(10-11)12(2)15(3)4/h8-10H,2,7H2,1,3-6H3
InChIKeyHRPWPVCNNDYETB-UHFFFAOYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine (CID 134187767) is 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine is C=C(C1=CC(C)=CCC=C1N(C)C)N(C)C.
What is the InChIKey of 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is HRPWPVCNNDYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-8-7-9-14(16(5)6)13(10-11)12(2)15(3)4/h8-10H,2,7H2,1,3-6H3.
What are the key properties of 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine?
7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(dimethylamino)ethenyl]-N,N,5-trimethylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 134187767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).