4-cyclohex-3-en-1-yloxybutan-1-amine

C10H19NO — CID 89197342

IUPAC4-cyclohex-3-en-1-yloxybutan-1-amine
SMILESNCCCCOC1CC=CCC1
InChIInChI=1S/C10H19NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,10H,3-9,11H2
InChIKeyFGTMVPKAFQZMPE-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds5

About 4-cyclohex-3-en-1-yloxybutan-1-amine

4-cyclohex-3-en-1-yloxybutan-1-amine (PubChem CID 89197342) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-cyclohex-3-en-1-yloxybutan-1-amine.

Molecular Properties

Compound Name4-cyclohex-3-en-1-yloxybutan-1-amine
PubChem CID89197342
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-cyclohex-3-en-1-yloxybutan-1-amine
SMILESNCCCCOC1CC=CCC1
InChIInChI=1S/C10H19NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,10H,3-9,11H2
InChIKeyFGTMVPKAFQZMPE-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-3-en-1-yloxybutan-1-amine?
The IUPAC name of 4-cyclohex-3-en-1-yloxybutan-1-amine (CID 89197342) is 4-cyclohex-3-en-1-yloxybutan-1-amine.
What is the SMILES notation for 4-cyclohex-3-en-1-yloxybutan-1-amine?
The canonical SMILES for 4-cyclohex-3-en-1-yloxybutan-1-amine is NCCCCOC1CC=CCC1.
What is the InChIKey of 4-cyclohex-3-en-1-yloxybutan-1-amine?
The InChIKey is FGTMVPKAFQZMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-2,10H,3-9,11H2.
What are the key properties of 4-cyclohex-3-en-1-yloxybutan-1-amine?
4-cyclohex-3-en-1-yloxybutan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-3-en-1-yloxybutan-1-amine is sourced from PubChem (CID 89197342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).