6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine

C9H15NO — CID 69324874

IUPAC6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCCC1(OC)C=CC=CC1N
InChIInChI=1S/C9H15NO/c1-3-9(11-2)7-5-4-6-8(9)10/h4-8H,3,10H2,1-2H3
InChIKeyDRRNLBAVAZMBEH-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds2

About 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine

6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 69324874) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID69324874
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCCC1(OC)C=CC=CC1N
InChIInChI=1S/C9H15NO/c1-3-9(11-2)7-5-4-6-8(9)10/h4-8H,3,10H2,1-2H3
InChIKeyDRRNLBAVAZMBEH-UHFFFAOYSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine (CID 69324874) is 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine is CCC1(OC)C=CC=CC1N.
What is the InChIKey of 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is DRRNLBAVAZMBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(11-2)7-5-4-6-8(9)10/h4-8H,3,10H2,1-2H3.
What are the key properties of 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 69324874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).