4-[(E)-but-2-enoxy]cyclohexan-1-amine

C10H19NO — CID 62807933

IUPAC4-[(E)-but-2-enoxy]cyclohexan-1-amine
SMILESC/C=C/COC1CCC(N)CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-3,9-10H,4-8,11H2,1H3/b3-2+
InChIKeyXOQGNCSMSKHWDO-NSCUHMNNSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About 4-[(E)-but-2-enoxy]cyclohexan-1-amine

4-[(E)-but-2-enoxy]cyclohexan-1-amine (PubChem CID 62807933) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]cyclohexan-1-amine
PubChem CID62807933
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(E)-but-2-enoxy]cyclohexan-1-amine
SMILESC/C=C/COC1CCC(N)CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-3,9-10H,4-8,11H2,1H3/b3-2+
InChIKeyXOQGNCSMSKHWDO-NSCUHMNNSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-prop-1-enoxy]cyclohexan-1-amine
CID 17952620
4-Prop-2-enoxycyclohexan-1-amine
CID 45090913
N-tert-butyl-4-prop-2-enoxycyclohexan-1-amine
CID 60147274
N-ethyl-4-prop-2-enoxycyclohexan-1-amine
CID 68371753
4-[(Z)-prop-1-enoxy]cyclohexan-1-amine
CID 69723554
trans-4-Propenyloxycyclohexylamine
CID 69723555
N-methyl-4-prop-2-enoxycyclohexan-1-amine
CID 89595072
2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
CID 142986216
4-[(E)-but-2-en-2-yl]oxycyclohexan-1-amine
CID 166773586
4-But-3-en-2-yloxycyclohexan-1-amine
CID 62806349
4-[(E)-3-chloroprop-2-enoxy]cyclohexan-1-amine
CID 62807756
4-(3-Methylbut-2-enoxy)cyclohexan-1-amine
CID 62807757

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]cyclohexan-1-amine (CID 62807933) is 4-[(E)-but-2-enoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]cyclohexan-1-amine is C/C=C/COC1CCC(N)CC1.
What is the InChIKey of 4-[(E)-but-2-enoxy]cyclohexan-1-amine?
The InChIKey is XOQGNCSMSKHWDO-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h2-3,9-10H,4-8,11H2,1H3/b3-2+.
What are the key properties of 4-[(E)-but-2-enoxy]cyclohexan-1-amine?
4-[(E)-but-2-enoxy]cyclohexan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]cyclohexan-1-amine is sourced from PubChem (CID 62807933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).