2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine

C10H17NO — CID 71377535

IUPAC2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
SMILESCCOC1=CC(=CCN)CCC1
InChIInChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3
InChIKeyMKAWXKDROREAPW-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.98
Rot. Bonds3

About 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine

2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine (PubChem CID 71377535) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
PubChem CID71377535
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine
SMILESCCOC1=CC(=CCN)CCC1
InChIInChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3
InChIKeyMKAWXKDROREAPW-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The IUPAC name of 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine (CID 71377535) is 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine.
What is the SMILES notation for 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The canonical SMILES for 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine is CCOC1=CC(=CCN)CCC1.
What is the InChIKey of 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
The InChIKey is MKAWXKDROREAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-12-10-5-3-4-9(8-10)6-7-11/h6,8H,2-5,7,11H2,1H3.
What are the key properties of 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine?
2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclohex-2-en-1-ylidene)ethanamine is sourced from PubChem (CID 71377535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).