2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol

C13H25NO2 — CID 62610271

IUPAC2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN(CCO)C2CC2)C1
InChIInChI=1S/C13H25NO2/c1-10-2-5-13(16)11(8-10)9-14(6-7-15)12-3-4-12/h10-13,15-16H,2-9H2,1H3
InChIKeyXTUNSIHRTQREMM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.24
Rot. Bonds5

About 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol

2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 62610271) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
PubChem CID62610271
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN(CCO)C2CC2)C1
InChIInChI=1S/C13H25NO2/c1-10-2-5-13(16)11(8-10)9-14(6-7-15)12-3-4-12/h10-13,15-16H,2-9H2,1H3
InChIKeyXTUNSIHRTQREMM-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol (CID 62610271) is 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)C(CN(CCO)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is XTUNSIHRTQREMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10-2-5-13(16)11(8-10)9-14(6-7-15)12-3-4-12/h10-13,15-16H,2-9H2,1H3.
What are the key properties of 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol?
2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 62610271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).