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

C10H17NO — CID 143531406

IUPACN-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCOCCN(C)C1=CC=CCC1
InChIInChI=1S/C10H17NO/c1-11(8-9-12-2)10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyANMUDYTYTGYBCE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds4

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

N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (PubChem CID 143531406) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
PubChem CID143531406
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine
SMILESCOCCN(C)C1=CC=CCC1
InChIInChI=1S/C10H17NO/c1-11(8-9-12-2)10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyANMUDYTYTGYBCE-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine (CID 143531406) is N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is COCCN(C)C1=CC=CCC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
The InChIKey is ANMUDYTYTGYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(8-9-12-2)10-6-4-3-5-7-10/h3-4,6H,5,7-9H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine?
N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 143531406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).