4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine

C14H27NO — CID 123955293

IUPAC4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COC(N)CCC=C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h9,12,14H,3-8,10-11,15H2,1-2H3
InChIKeyGUNBMFYCVRZJGJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.61
Rot. Bonds6

About 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine

4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine (PubChem CID 123955293) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine.

Molecular Properties

Compound Name4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine
PubChem CID123955293
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine
SMILESCC(C)COC(N)CCC=C1CCCCC1
InChIInChI=1S/C14H27NO/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h9,12,14H,3-8,10-11,15H2,1-2H3
InChIKeyGUNBMFYCVRZJGJ-UHFFFAOYSA-N
XLogP3.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine?
The IUPAC name of 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine (CID 123955293) is 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine.
What is the SMILES notation for 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine?
The canonical SMILES for 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine is CC(C)COC(N)CCC=C1CCCCC1.
What is the InChIKey of 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine?
The InChIKey is GUNBMFYCVRZJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)11-16-14(15)10-6-9-13-7-4-3-5-8-13/h9,12,14H,3-8,10-11,15H2,1-2H3.
What are the key properties of 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine?
4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidene-1-(2-methylpropoxy)butan-1-amine is sourced from PubChem (CID 123955293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).