2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one

C14H27NO2 — CID 55094407

IUPAC2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)CC(C)O)C1
InChIInChI=1S/C14H27NO2/c1-4-5-12-6-7-14(17)13(8-12)10-15(3)9-11(2)16/h11-13,16H,4-10H2,1-3H3
InChIKeySMFBHMXMGXTFTJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.08
Rot. Bonds6

About 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one

2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 55094407) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID55094407
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(C)CC(C)O)C1
InChIInChI=1S/C14H27NO2/c1-4-5-12-6-7-14(17)13(8-12)10-15(3)9-11(2)16/h11-13,16H,4-10H2,1-3H3
InChIKeySMFBHMXMGXTFTJ-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one (CID 55094407) is 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(C)CC(C)O)C1.
What is the InChIKey of 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is SMFBHMXMGXTFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-5-12-6-7-14(17)13(8-12)10-15(3)9-11(2)16/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxypropyl(methyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55094407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).