5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine

C11H17N — CID 163604999

IUPAC5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCCC1(C)C=CC=C(NC)C=C1
InChIInChI=1S/C11H17N/c1-4-11(2)8-5-6-10(12-3)7-9-11/h5-9,12H,4H2,1-3H3
InChIKeyHAZFNQUHQNCLRA-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.63
Rot. Bonds2

About 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine

5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine (PubChem CID 163604999) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
PubChem CID163604999
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
SMILESCCC1(C)C=CC=C(NC)C=C1
InChIInChI=1S/C11H17N/c1-4-11(2)8-5-6-10(12-3)7-9-11/h5-9,12H,4H2,1-3H3
InChIKeyHAZFNQUHQNCLRA-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine (CID 163604999) is 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine is CCC1(C)C=CC=C(NC)C=C1.
What is the InChIKey of 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is HAZFNQUHQNCLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-4-11(2)8-5-6-10(12-3)7-9-11/h5-9,12H,4H2,1-3H3.
What are the key properties of 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine?
5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 163.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,5-dimethylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 163604999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).