4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine

C12H23NO — CID 104454924

IUPAC4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(CC1)OC(C)C=C
InChIInChI=1S/C12H23NO/c1-4-10(3)14-12-8-6-11(7-9-12)13-5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyRXMWZGFXNKHOAF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.40
Rot. Bonds5

About 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine

4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine (PubChem CID 104454924) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine
PubChem CID104454924
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine
SMILESCCNC1CCC(CC1)OC(C)C=C
InChIInChI=1S/C12H23NO/c1-4-10(3)14-12-8-6-11(7-9-12)13-5-2/h4,10-13H,1,5-9H2,2-3H3
InChIKeyRXMWZGFXNKHOAF-UHFFFAOYSA-N
XLogP2.40
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.40
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 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine?
The IUPAC name of 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine (CID 104454924) is 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine?
The canonical SMILES for 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine is CCNC1CCC(CC1)OC(C)C=C.
What is the InChIKey of 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine?
The InChIKey is RXMWZGFXNKHOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-10(3)14-12-8-6-11(7-9-12)13-5-2/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine?
4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-2-yloxy-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 104454924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).