ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol

C11H23NO — CID 177317142

IUPACethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
SMILESCC.CC1=CCC(NCCO)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-8-2-4-9(5-3-8)10-6-7-11;1-2/h2,9-11H,3-7H2,1H3;1-2H3
InChIKeyDVLZHVJOLCQXFJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds3

About ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol

ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol (PubChem CID 177317142) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol.

Molecular Properties

Compound Nameethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
PubChem CID177317142
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol
SMILESCC.CC1=CCC(NCCO)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-8-2-4-9(5-3-8)10-6-7-11;1-2/h2,9-11H,3-7H2,1H3;1-2H3
InChIKeyDVLZHVJOLCQXFJ-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol?
The IUPAC name of ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol (CID 177317142) is ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol.
What is the SMILES notation for ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol?
The canonical SMILES for ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol is CC.CC1=CCC(NCCO)CC1.
What is the InChIKey of ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol?
The InChIKey is DVLZHVJOLCQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-8-2-4-9(5-3-8)10-6-7-11;1-2/h2,9-11H,3-7H2,1H3;1-2H3.
What are the key properties of ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol?
ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-methylcyclohex-3-en-1-yl)amino]ethanol is sourced from PubChem (CID 177317142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).