2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one

C12H23NO2 — CID 62029205

IUPAC2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(CCCO)C1CCCCC1=O
InChIInChI=1S/C12H23NO2/c1-10(2)13(8-5-9-14)11-6-3-4-7-12(11)15/h10-11,14H,3-9H2,1-2H3
InChIKeyFCPTUOPBUXRSTP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.59
Rot. Bonds5

About 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one

2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one (PubChem CID 62029205) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one
PubChem CID62029205
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one
SMILESCC(C)N(CCCO)C1CCCCC1=O
InChIInChI=1S/C12H23NO2/c1-10(2)13(8-5-9-14)11-6-3-4-7-12(11)15/h10-11,14H,3-9H2,1-2H3
InChIKeyFCPTUOPBUXRSTP-UHFFFAOYSA-N
XLogP1.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one?
The IUPAC name of 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one (CID 62029205) is 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one.
What is the SMILES notation for 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one?
The canonical SMILES for 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one is CC(C)N(CCCO)C1CCCCC1=O.
What is the InChIKey of 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one?
The InChIKey is FCPTUOPBUXRSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)13(8-5-9-14)11-6-3-4-7-12(11)15/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one?
2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxypropyl(propan-2-yl)amino]cyclohexan-1-one is sourced from PubChem (CID 62029205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).