1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

C12H23NO — CID 106657502

IUPAC1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7,11H,4-6,8-9,13H2,1-3H3
InChIKeyLNXJAGCDJYBBIP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine

1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 106657502) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID106657502
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OCC(N)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7,11H,4-6,8-9,13H2,1-3H3
InChIKeyLNXJAGCDJYBBIP-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
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

[1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 106650578
1-(cycloocten-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106657751
1-(cyclohexen-1-yl)-2-ethoxyethanamine
CID 106653369
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
1-(cyclohepten-1-yl)-2-propoxyethanamine
CID 106652723
1-(cyclohepten-1-yl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657027
1-(cyclohexen-1-yl)butan-1-amine
CID 62079375
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
1-(cycloocten-1-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 106654843
(1R)-1-(cyclopenten-1-yl)propan-1-amine
CID 82763490
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 106657502) is 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OCC(N)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is LNXJAGCDJYBBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7,11H,4-6,8-9,13H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine?
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 106657502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).