(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol

C10H15NO — CID 137435817

IUPAC(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol
SMILESCC1=CCC(N[C@@H](C)O)C=C=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(7-6-8)11-9(2)12/h4-6,9-12H,7H2,1-2H3/t9-,10?/m1/s1
InChIKeyAPEVYENPTBWABH-YHMJZVADSA-N
MW165.24 g/mol
LogP1.34
Rot. Bonds2

About (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol

(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol (PubChem CID 137435817) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol.

Molecular Properties

Compound Name(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol
PubChem CID137435817
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol
SMILESCC1=CCC(N[C@@H](C)O)C=C=C1
InChIInChI=1S/C10H15NO/c1-8-4-3-5-10(7-6-8)11-9(2)12/h4-6,9-12H,7H2,1-2H3/t9-,10?/m1/s1
InChIKeyAPEVYENPTBWABH-YHMJZVADSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol?
The IUPAC name of (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol (CID 137435817) is (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol.
What is the SMILES notation for (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol?
The canonical SMILES for (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol is CC1=CCC(N[C@@H](C)O)C=C=C1.
What is the InChIKey of (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol?
The InChIKey is APEVYENPTBWABH-YHMJZVADSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-4-3-5-10(7-6-8)11-9(2)12/h4-6,9-12H,7H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol?
(1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(5-methylcyclohepta-2,3,5-trien-1-yl)amino]ethanol is sourced from PubChem (CID 137435817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).