N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine

C11H20N2 — CID 114620591

IUPACN-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine
SMILESCCN(C1C=CCCC1)C1CNC1
InChIInChI=1S/C11H20N2/c1-2-13(11-8-12-9-11)10-6-4-3-5-7-10/h4,6,10-12H,2-3,5,7-9H2,1H3
InChIKeyBCDAXTLZEWQFDK-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.39
Rot. Bonds3

About N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine

N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine (PubChem CID 114620591) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine
PubChem CID114620591
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine
SMILESCCN(C1C=CCCC1)C1CNC1
InChIInChI=1S/C11H20N2/c1-2-13(11-8-12-9-11)10-6-4-3-5-7-10/h4,6,10-12H,2-3,5,7-9H2,1H3
InChIKeyBCDAXTLZEWQFDK-UHFFFAOYSA-N
XLogP1.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine (CID 114620591) is N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine is CCN(C1C=CCCC1)C1CNC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine?
The InChIKey is BCDAXTLZEWQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-2-13(11-8-12-9-11)10-6-4-3-5-7-10/h4,6,10-12H,2-3,5,7-9H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine?
N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine has a molecular weight of 180.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine is sourced from PubChem (CID 114620591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).