4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine

C10H19NO — CID 166773586

IUPAC4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine
SMILESC/C=C(\C)OC1CCC(N)CC1
InChIInChI=1S/C10H19NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3,9-10H,4-7,11H2,1-2H3/b8-3+
InChIKeyNTSDFHCJAPNDIU-FPYGCLRLSA-N
MW169.27 g/mol
LogP2.20
Rot. Bonds2

About 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine

4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine (PubChem CID 166773586) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine
PubChem CID166773586
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine
SMILESC/C=C(\C)OC1CCC(N)CC1
InChIInChI=1S/C10H19NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3,9-10H,4-7,11H2,1-2H3/b8-3+
InChIKeyNTSDFHCJAPNDIU-FPYGCLRLSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine (CID 166773586) is 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine is C/C=C(\C)OC1CCC(N)CC1.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine?
The InChIKey is NTSDFHCJAPNDIU-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h3,9-10H,4-7,11H2,1-2H3/b8-3+.
What are the key properties of 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine?
4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 166773586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).