2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine

C13H25NO — CID 60692324

IUPAC2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-12(2)15-11-10-14-9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3
InChIKeyAQRHDARUMXCDSH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine

2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 60692324) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID60692324
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNCCC1=CCCCC1
InChIInChI=1S/C13H25NO/c1-12(2)15-11-10-14-9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3
InChIKeyAQRHDARUMXCDSH-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 60692324) is 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is AQRHDARUMXCDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-12(2)15-11-10-14-9-8-13-6-4-3-5-7-13/h6,12,14H,3-5,7-11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 60692324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).