2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one

C16H31NO2 — CID 55094634

IUPAC2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)C(C)COC)C1
InChIInChI=1S/C16H31NO2/c1-5-7-14-8-9-16(18)15(10-14)11-17(6-2)13(3)12-19-4/h13-15H,5-12H2,1-4H3
InChIKeyPBVNHBVXWUECLC-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds8

About 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one

2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 55094634) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID55094634
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)C(C)COC)C1
InChIInChI=1S/C16H31NO2/c1-5-7-14-8-9-16(18)15(10-14)11-17(6-2)13(3)12-19-4/h13-15H,5-12H2,1-4H3
InChIKeyPBVNHBVXWUECLC-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one (CID 55094634) is 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC)C(C)COC)C1.
What is the InChIKey of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is PBVNHBVXWUECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-7-14-8-9-16(18)15(10-14)11-17(6-2)13(3)12-19-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 269.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55094634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).