ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine

C14H25NO2 — CID 143885715

IUPACethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine
SMILESC=C(NC)OC1=CCCC=C1OC(C)C.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4;1-2/h7-9,13H,3,5-6H2,1-2,4H3;1-2H3
InChIKeyZFWIBFQDMSVLEX-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.71
Rot. Bonds5

About ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine

ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine (PubChem CID 143885715) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine.

Molecular Properties

Compound Nameethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine
PubChem CID143885715
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Nameethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine
SMILESC=C(NC)OC1=CCCC=C1OC(C)C.CC
InChIInChI=1S/C12H19NO2.C2H6/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4;1-2/h7-9,13H,3,5-6H2,1-2,4H3;1-2H3
InChIKeyZFWIBFQDMSVLEX-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine?
The IUPAC name of ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine (CID 143885715) is ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine.
What is the SMILES notation for ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine?
The canonical SMILES for ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine is C=C(NC)OC1=CCCC=C1OC(C)C.CC.
What is the InChIKey of ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine?
The InChIKey is ZFWIBFQDMSVLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2.C2H6/c1-9(2)14-11-7-5-6-8-12(11)15-10(3)13-4;1-2/h7-9,13H,3,5-6H2,1-2,4H3;1-2H3.
What are the key properties of ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine?
ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine has a molecular weight of 239.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-(6-propan-2-yloxycyclohexa-1,5-dien-1-yl)oxyethenamine is sourced from PubChem (CID 143885715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).