4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine

C12H21NO — CID 142345470

IUPAC4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1=CC=C(N(C)CCOC)CC1
InChIInChI=1S/C12H21NO/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3/h5,7H,4,6,8-10H2,1-3H3
InChIKeyOWHJYHLXQRTAOG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds5

About 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine

4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 142345470) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID142345470
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCCC1=CC=C(N(C)CCOC)CC1
InChIInChI=1S/C12H21NO/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3/h5,7H,4,6,8-10H2,1-3H3
InChIKeyOWHJYHLXQRTAOG-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 142345470) is 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is CCC1=CC=C(N(C)CCOC)CC1.
What is the InChIKey of 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is OWHJYHLXQRTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-11-5-7-12(8-6-11)13(2)9-10-14-3/h5,7H,4,6,8-10H2,1-3H3.
What are the key properties of 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142345470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).