N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine

C14H22N2O — CID 90458043

IUPACN-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCC(=CN2CCCC2)C=C1OC
InChIInChI=1S/C14H22N2O/c1-3-15-13-7-6-12(10-14(13)17-2)11-16-8-4-5-9-16/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyGEACTXRNONYRSK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds4

About N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine

N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine (PubChem CID 90458043) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine
PubChem CID90458043
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine
SMILESCCNC1=CCC(=CN2CCCC2)C=C1OC
InChIInChI=1S/C14H22N2O/c1-3-15-13-7-6-12(10-14(13)17-2)11-16-8-4-5-9-16/h7,10-11,15H,3-6,8-9H2,1-2H3
InChIKeyGEACTXRNONYRSK-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine (CID 90458043) is N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine is CCNC1=CCC(=CN2CCCC2)C=C1OC.
What is the InChIKey of N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine?
The InChIKey is GEACTXRNONYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-13-7-6-12(10-14(13)17-2)11-16-8-4-5-9-16/h7,10-11,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine?
N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-4-(pyrrolidin-1-ylmethylidene)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 90458043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).