1-cyclohexa-1,5-dien-1-yl-N-methylethanamine

C9H15N — CID 142152612

IUPAC1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCNC(C)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyVWWVXYJIOZMMJE-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.87
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine

1-cyclohexa-1,5-dien-1-yl-N-methylethanamine (PubChem CID 142152612) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
PubChem CID142152612
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCNC(C)C1=CCCC=C1
InChIInChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyVWWVXYJIOZMMJE-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine (CID 142152612) is 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine is CNC(C)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The InChIKey is VWWVXYJIOZMMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(10-2)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
1-cyclohexa-1,5-dien-1-yl-N-methylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-N-methylethanamine is sourced from PubChem (CID 142152612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).