6-ethyl-N-methylcyclohexa-1,5-dien-1-amine

C9H15N — CID 143115354

IUPAC6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CCCC=C1NC
InChIInChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyCREPTQFKBNIKQR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.22
Rot. Bonds2

About 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine

6-ethyl-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143115354) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID143115354
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-ethyl-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCC1=CCCC=C1NC
InChIInChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3
InChIKeyCREPTQFKBNIKQR-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine (CID 143115354) is 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine is CCC1=CCCC=C1NC.
What is the InChIKey of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is CREPTQFKBNIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-8-6-4-5-7-9(8)10-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine?
6-ethyl-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143115354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).