2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine

C12H20N2O — CID 71188495

IUPAC2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=C(OCCN2CCCC2)C=CCC1
InChIInChI=1S/C12H20N2O/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h2,6H,1,3-5,7-10,13H2
InChIKeyICVMTZPSKAZXRW-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.62
Rot. Bonds4

About 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine

2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine (PubChem CID 71188495) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine
PubChem CID71188495
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine
SMILESNC1=C(OCCN2CCCC2)C=CCC1
InChIInChI=1S/C12H20N2O/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h2,6H,1,3-5,7-10,13H2
InChIKeyICVMTZPSKAZXRW-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine (CID 71188495) is 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine is NC1=C(OCCN2CCCC2)C=CCC1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine?
The InChIKey is ICVMTZPSKAZXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11-5-1-2-6-12(11)15-10-9-14-7-3-4-8-14/h2,6H,1,3-5,7-10,13H2.
What are the key properties of 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine?
2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine has a molecular weight of 208.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethoxy)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71188495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).