3-(3-methylbut-2-enoxy)cyclohexan-1-amine

C11H21NO — CID 79464558

IUPAC3-(3-methylbut-2-enoxy)cyclohexan-1-amine
SMILESCC(C)=CCOC1CCCC(N)C1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h6,10-11H,3-5,7-8,12H2,1-2H3
InChIKeyPENJQIMJOVOPCG-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.24
Rot. Bonds3

About 3-(3-methylbut-2-enoxy)cyclohexan-1-amine

3-(3-methylbut-2-enoxy)cyclohexan-1-amine (PubChem CID 79464558) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)cyclohexan-1-amine
PubChem CID79464558
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name3-(3-methylbut-2-enoxy)cyclohexan-1-amine
SMILESCC(C)=CCOC1CCCC(N)C1
InChIInChI=1S/C11H21NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h6,10-11H,3-5,7-8,12H2,1-2H3
InChIKeyPENJQIMJOVOPCG-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.24
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 3-(3-methylbut-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 3-(3-methylbut-2-enoxy)cyclohexan-1-amine (CID 79464558) is 3-(3-methylbut-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 3-(3-methylbut-2-enoxy)cyclohexan-1-amine is CC(C)=CCOC1CCCC(N)C1.
What is the InChIKey of 3-(3-methylbut-2-enoxy)cyclohexan-1-amine?
The InChIKey is PENJQIMJOVOPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)6-7-13-11-5-3-4-10(12)8-11/h6,10-11H,3-5,7-8,12H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxy)cyclohexan-1-amine?
3-(3-methylbut-2-enoxy)cyclohexan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 79464558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).