4-(4-methylcyclohexyl)oxybut-2-en-1-amine

C11H21NO — CID 77110431

IUPAC4-(4-methylcyclohexyl)oxybut-2-en-1-amine
SMILESCC1CCC(OCC=CCN)CC1
InChIInChI=1S/C11H21NO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h2-3,10-11H,4-9,12H2,1H3
InChIKeyQDQDTBSGPQFULO-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.10
Rot. Bonds4

About 4-(4-methylcyclohexyl)oxybut-2-en-1-amine

4-(4-methylcyclohexyl)oxybut-2-en-1-amine (PubChem CID 77110431) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxybut-2-en-1-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxybut-2-en-1-amine
PubChem CID77110431
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(4-methylcyclohexyl)oxybut-2-en-1-amine
SMILESCC1CCC(OCC=CCN)CC1
InChIInChI=1S/C11H21NO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h2-3,10-11H,4-9,12H2,1H3
InChIKeyQDQDTBSGPQFULO-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.10
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-(4-methylcyclohexyl)oxybut-2-en-1-amine?
The IUPAC name of 4-(4-methylcyclohexyl)oxybut-2-en-1-amine (CID 77110431) is 4-(4-methylcyclohexyl)oxybut-2-en-1-amine.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxybut-2-en-1-amine?
The canonical SMILES for 4-(4-methylcyclohexyl)oxybut-2-en-1-amine is CC1CCC(OCC=CCN)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxybut-2-en-1-amine?
The InChIKey is QDQDTBSGPQFULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-4-6-11(7-5-10)13-9-3-2-8-12/h2-3,10-11H,4-9,12H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)oxybut-2-en-1-amine?
4-(4-methylcyclohexyl)oxybut-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxybut-2-en-1-amine is sourced from PubChem (CID 77110431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).