2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol

C14H27NO — CID 81411299

IUPAC2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(2,12-16)11-15-10-9-13-7-5-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyRQGFYBOMKFTHAM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.88
Rot. Bonds7

About 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol

2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol (PubChem CID 81411299) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
PubChem CID81411299
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNCCC1=CCCCC1
InChIInChI=1S/C14H27NO/c1-3-14(2,12-16)11-15-10-9-13-7-5-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3
InChIKeyRQGFYBOMKFTHAM-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
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-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol (CID 81411299) is 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNCCC1=CCCCC1.
What is the InChIKey of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is RQGFYBOMKFTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-14(2,12-16)11-15-10-9-13-7-5-4-6-8-13/h7,15-16H,3-6,8-12H2,1-2H3.
What are the key properties of 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol?
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 81411299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).