2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine

C10H19NO — CID 163539644

IUPAC2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine
SMILESCOC1(C)CCCC=C1CCN
InChIInChI=1S/C10H19NO/c1-10(12-2)7-4-3-5-9(10)6-8-11/h5H,3-4,6-8,11H2,1-2H3
InChIKeyFAAKWGRJWNGUJW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.85
Rot. Bonds3

About 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine

2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine (PubChem CID 163539644) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine
PubChem CID163539644
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine
SMILESCOC1(C)CCCC=C1CCN
InChIInChI=1S/C10H19NO/c1-10(12-2)7-4-3-5-9(10)6-8-11/h5H,3-4,6-8,11H2,1-2H3
InChIKeyFAAKWGRJWNGUJW-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.85
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

[(1S,4S)-2-(methoxymethyl)-4-methylcyclohex-2-en-1-yl]methanamine
CID 131971212
(Z)-6-ethyl-4-(methoxymethyl)dec-4-en-1-amine
CID 103392098
5-Cyclohexyl-4-(methoxymethyl)pent-4-en-1-amine
CID 103392185
(E)-3-(1-methoxycyclohexyl)prop-2-en-1-amine
CID 131237418
(Z)-3-(1-methoxycyclohexyl)-2-methylprop-2-en-1-amine
CID 133669335

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine (CID 163539644) is 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine is COC1(C)CCCC=C1CCN.
What is the InChIKey of 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine?
The InChIKey is FAAKWGRJWNGUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(12-2)7-4-3-5-9(10)6-8-11/h5H,3-4,6-8,11H2,1-2H3.
What are the key properties of 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine?
2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-6-methylcyclohexen-1-yl)ethanamine is sourced from PubChem (CID 163539644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).