5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine

C12H17N — CID 142889904

IUPAC5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESC=C(C)NC1=CCC=C(C)C=C1C
InChIInChI=1S/C12H17N/c1-9(2)13-12-7-5-6-10(3)8-11(12)4/h6-8,13H,1,5H2,2-4H3
InChIKeyJMRPQROIXQHRCZ-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.29
Rot. Bonds2

About 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine

5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine (PubChem CID 142889904) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine
PubChem CID142889904
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine
SMILESC=C(C)NC1=CCC=C(C)C=C1C
InChIInChI=1S/C12H17N/c1-9(2)13-12-7-5-6-10(3)8-11(12)4/h6-8,13H,1,5H2,2-4H3
InChIKeyJMRPQROIXQHRCZ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine?
The IUPAC name of 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine (CID 142889904) is 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine.
What is the SMILES notation for 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine?
The canonical SMILES for 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine is C=C(C)NC1=CCC=C(C)C=C1C.
What is the InChIKey of 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine?
The InChIKey is JMRPQROIXQHRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)13-12-7-5-6-10(3)8-11(12)4/h6-8,13H,1,5H2,2-4H3.
What are the key properties of 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine?
5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine has a molecular weight of 175.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine is sourced from PubChem (CID 142889904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).