ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine

C12H22N2O — CID 142040618

IUPACethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC.COC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C10H16N2O.C2H6/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12;1-2/h2,4,11H,3,5-8H2,1H3;1-2H3
InChIKeyPYBKRCPJEPSHNH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.08
Rot. Bonds2

About ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine

ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 142040618) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Nameethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID142040618
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine
SMILESCC.COC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C10H16N2O.C2H6/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12;1-2/h2,4,11H,3,5-8H2,1H3;1-2H3
InChIKeyPYBKRCPJEPSHNH-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Methoxycyclohexa-1,3-dien-1-yl)imidazolidine
CID 142040619
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylethane-1,2-diamine
CID 142040765
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethyl-methylazanide
CID 142040884
2-[(4-Methoxycyclohexa-1,3-dien-1-yl)amino]ethylazanide
CID 142040916
1-[(3E,5E)-6-methoxyocta-1,3,5-trien-3-yl]imidazolidine
CID 142202932
4-methoxy-N-(1-pyrrolidin-1-ylethenyl)cyclohexa-1,3-dien-1-amine
CID 142207410
ethane;1-N-methyl-1-N'-[5-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]ethene-1,1-diamine
CID 145496910
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 162686620
N'-(4-methoxycyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142040917
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 ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine (CID 142040618) is ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine is CC.COC1=CC=C(N2CCNC2)CC1.
What is the InChIKey of ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is PYBKRCPJEPSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-13-10-4-2-9(3-5-10)12-7-6-11-8-12;1-2/h2,4,11H,3,5-8H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine?
ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 210.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxycyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 142040618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).