1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol

C13H25NO — CID 106654898

IUPAC1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)C1=CCCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-13(15)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyOFCMDALJYOJRAX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds5

About 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol

1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol (PubChem CID 106654898) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol
PubChem CID106654898
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol
SMILESCC(C)CNCC(O)C1=CCCCCC1
InChIInChI=1S/C13H25NO/c1-11(2)9-14-10-13(15)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3
InChIKeyOFCMDALJYOJRAX-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol?
The IUPAC name of 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol (CID 106654898) is 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol is CC(C)CNCC(O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol?
The InChIKey is OFCMDALJYOJRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)9-14-10-13(15)12-7-5-3-4-6-8-12/h7,11,13-15H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol?
1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-(2-methylpropylamino)ethanol is sourced from PubChem (CID 106654898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).