4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C12H23NO — CID 103522714

IUPAC4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h8,11-13H,4-7,9H2,1-3H3
InChIKeyFZAXYWDDNPYVEL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds4

About 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine

4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 103522714) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID103522714
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCOC1CCC(NCC=C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h8,11-13H,4-7,9H2,1-3H3
InChIKeyFZAXYWDDNPYVEL-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-[6-[methyl(prop-2-enyl)amino]hexoxy]cyclohexan-1-amine
CID 11208331
trans-(4-[4-(Allyl-methyl-amino)-butoxy]-cyclohexyl)-methyl-amine
CID 22567622
N-methyl-4-[3-[methyl(prop-2-enyl)amino]propoxy]cyclohexan-1-amine
CID 22567695
N-tert-butyl-4-prop-2-enoxycyclohexan-1-amine
CID 60147274
N-hexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 67485005
N-ethyl-4-prop-2-enoxycyclohexan-1-amine
CID 68371753
4-methoxy-N-prop-2-enylcyclohexan-1-amine
CID 104456854
4-[4-(but-3-enylamino)butoxy]-N-methylcyclohexan-1-amine
CID 174464254
2-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 103096886
2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 103522641
N-(3-methylbut-2-enyl)-2-propyloxan-4-amine
CID 103522688
2-methyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 103522700

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 103522714) is 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine is COC1CCC(NCC=C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is FZAXYWDDNPYVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)8-9-13-11-4-6-12(14-3)7-5-11/h8,11-13H,4-7,9H2,1-3H3.
What are the key properties of 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 103522714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).