N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine

C13H23NO2 — CID 15421831

IUPACN-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1C=C(OC)CC(OC)=C1
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)10-11-7-12(15-3)9-13(8-11)16-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFLIXQPXNIMREBF-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.41
Rot. Bonds6

About N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine

N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine (PubChem CID 15421831) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine
PubChem CID15421831
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)CC1C=C(OC)CC(OC)=C1
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)10-11-7-12(15-3)9-13(8-11)16-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyFLIXQPXNIMREBF-UHFFFAOYSA-N
XLogP2.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
CID 141207116
6-Propan-2-yl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 141207119
CID 86128732
CID 86128732
N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]ethanamine
CID 86128733
(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
CID 143043912

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine?
The IUPAC name of N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine (CID 15421831) is N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine is CCN(CC)CC1C=C(OC)CC(OC)=C1.
What is the InChIKey of N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine?
The InChIKey is FLIXQPXNIMREBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-14(6-2)10-11-7-12(15-3)9-13(8-11)16-4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine?
N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxycyclohexa-2,5-dien-1-yl)methyl]-N-ethylethanamine is sourced from PubChem (CID 15421831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).