1-(cyclohexen-1-ylmethylamino)ethanol

C9H17NO — CID 23342177

IUPAC1-(cyclohexen-1-ylmethylamino)ethanol
SMILESCC(O)NCC1=CCCCC1
InChIInChI=1S/C9H17NO/c1-8(11)10-7-9-5-3-2-4-6-9/h5,8,10-11H,2-4,6-7H2,1H3
InChIKeyNCKQKJQAZGACBX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.41
Rot. Bonds3

About 1-(cyclohexen-1-ylmethylamino)ethanol

1-(cyclohexen-1-ylmethylamino)ethanol (PubChem CID 23342177) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethylamino)ethanol
PubChem CID23342177
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(cyclohexen-1-ylmethylamino)ethanol
SMILESCC(O)NCC1=CCCCC1
InChIInChI=1S/C9H17NO/c1-8(11)10-7-9-5-3-2-4-6-9/h5,8,10-11H,2-4,6-7H2,1H3
InChIKeyNCKQKJQAZGACBX-UHFFFAOYSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-ylmethylamino)ethanol?
The IUPAC name of 1-(cyclohexen-1-ylmethylamino)ethanol (CID 23342177) is 1-(cyclohexen-1-ylmethylamino)ethanol.
What is the SMILES notation for 1-(cyclohexen-1-ylmethylamino)ethanol?
The canonical SMILES for 1-(cyclohexen-1-ylmethylamino)ethanol is CC(O)NCC1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-ylmethylamino)ethanol?
The InChIKey is NCKQKJQAZGACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(11)10-7-9-5-3-2-4-6-9/h5,8,10-11H,2-4,6-7H2,1H3.
What are the key properties of 1-(cyclohexen-1-ylmethylamino)ethanol?
1-(cyclohexen-1-ylmethylamino)ethanol has a molecular weight of 155.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethylamino)ethanol is sourced from PubChem (CID 23342177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).