2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine

C11H21NO — CID 102633452

IUPAC2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
SMILESC=CC(C)OC1CCCCC1NC
InChIInChI=1S/C11H21NO/c1-4-9(2)13-11-8-6-5-7-10(11)12-3/h4,9-12H,1,5-8H2,2-3H3
InChIKeyWUECPTKBGOIKTL-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine

2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine (PubChem CID 102633452) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
PubChem CID102633452
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
SMILESC=CC(C)OC1CCCCC1NC
InChIInChI=1S/C11H21NO/c1-4-9(2)13-11-8-6-5-7-10(11)12-3/h4,9-12H,1,5-8H2,2-3H3
InChIKeyWUECPTKBGOIKTL-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 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 ≤ 52.11
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

N-ethyl-4-prop-2-enoxycyclohexan-1-amine
CID 68371753
N-methyl-4-prop-2-enoxycyclohexan-1-amine
CID 89595072
2-[(E)-but-2-enoxy]cyclohexan-1-amine;ethane;prop-1-ene
CID 142986216
2-methoxy-N-prop-2-enylcyclohexan-1-amine
CID 43755424
2-(But-3-en-2-yloxymethyl)piperidine
CID 62382129
N-(2-prop-2-enoxypropyl)cyclohexanamine
CID 62570818
N-(2-but-3-enoxypropyl)cyclohexanamine
CID 62599035
N-methyl-1-propoxyhept-6-en-2-amine
CID 64299164
2-ethoxy-N-methyloct-7-en-3-amine
CID 64532987
2-ethoxy-N-ethyloct-7-en-3-amine
CID 64533801
2-ethoxy-N-propyloct-7-en-3-amine
CID 64535230
2-ethoxy-N-methylhept-6-en-3-amine
CID 64540063

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine?
The IUPAC name of 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine (CID 102633452) is 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine is C=CC(C)OC1CCCCC1NC.
What is the InChIKey of 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine?
The InChIKey is WUECPTKBGOIKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9(2)13-11-8-6-5-7-10(11)12-3/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine?
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).