4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine

C13H20N2O — CID 142207410

IUPAC4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
SMILESC=C(NC1=CC=C(OC)CC1)N1CCCC1
InChIInChI=1S/C13H20N2O/c1-11(15-9-3-4-10-15)14-12-5-7-13(16-2)8-6-12/h5,7,14H,1,3-4,6,8-10H2,2H3
InChIKeyAWJLAPRTBKHFIW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.35
Rot. Bonds4

About 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine

4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine (PubChem CID 142207410) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
PubChem CID142207410
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
SMILESC=C(NC1=CC=C(OC)CC1)N1CCCC1
InChIInChI=1S/C13H20N2O/c1-11(15-9-3-4-10-15)14-12-5-7-13(16-2)8-6-12/h5,7,14H,1,3-4,6,8-10H2,2H3
InChIKeyAWJLAPRTBKHFIW-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040618
1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
ethane;1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496910
1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496911

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine (CID 142207410) is 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine is C=C(NC1=CC=C(OC)CC1)N1CCCC1.
What is the InChIKey of 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is AWJLAPRTBKHFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(15-9-3-4-10-15)14-12-5-7-13(16-2)8-6-12/h5,7,14H,1,3-4,6,8-10H2,2H3.
What are the key properties of 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine?
4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 142207410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).