4-(3-methylbut-3-enoxy)cyclohexan-1-amine

C11H21NO — CID 102729321

IUPAC4-(3-methylbut-3-enoxy)cyclohexan-1-amine
SMILESC=C(C)CCOC1CCC(N)CC1
InChIInChI=1S/C11H21NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h10-11H,1,3-8,12H2,2H3
InChIKeyVXASLYIZLSTADW-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds4

About 4-(3-methylbut-3-enoxy)cyclohexan-1-amine

4-(3-methylbut-3-enoxy)cyclohexan-1-amine (PubChem CID 102729321) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(3-methylbut-3-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylbut-3-enoxy)cyclohexan-1-amine
PubChem CID102729321
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(3-methylbut-3-enoxy)cyclohexan-1-amine
SMILESC=C(C)CCOC1CCC(N)CC1
InChIInChI=1S/C11H21NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h10-11H,1,3-8,12H2,2H3
InChIKeyVXASLYIZLSTADW-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-4-methylidenecyclohexan-1-amine
CID 91590326
4-(3-Methylbut-2-en-2-yloxy)cyclohexan-1-amine
CID 123706263
4-But-3-en-2-yloxycyclohexan-1-amine
CID 62806349
4-(2-Methylprop-2-enoxy)cyclohexan-1-amine
CID 62807758
4-Pent-4-enoxycyclohexan-1-amine
CID 64313817
4-But-3-enoxycyclohexan-1-amine
CID 64313818
4-(2-Methylidenebutoxy)cyclohexan-1-amine
CID 66045738
4-but-3-enoxy-N-methylcyclohexan-1-amine
CID 104454290
N-methyl-4-(2-methylidenebutoxy)cyclohexan-1-amine
CID 104454514
5-Methyl-1-(oxan-2-yl)hex-5-en-3-amine
CID 105003984
5-Methylidene-1-(oxan-2-yl)heptan-3-amine
CID 105005878
6-Methyl-1-(oxan-2-yl)hept-6-en-3-amine
CID 105039405

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-methylbut-3-enoxy)cyclohexan-1-amine (CID 102729321) is 4-(3-methylbut-3-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methylbut-3-enoxy)cyclohexan-1-amine is C=C(C)CCOC1CCC(N)CC1.
What is the InChIKey of 4-(3-methylbut-3-enoxy)cyclohexan-1-amine?
The InChIKey is VXASLYIZLSTADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h10-11H,1,3-8,12H2,2H3.
What are the key properties of 4-(3-methylbut-3-enoxy)cyclohexan-1-amine?
4-(3-methylbut-3-enoxy)cyclohexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-3-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 102729321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).