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

C15H29NO2 — CID 55094498

IUPAC2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCOC)C1
InChIInChI=1S/C15H29NO2/c1-4-6-13-7-8-15(17)14(11-13)12-16(5-2)9-10-18-3/h13-14H,4-12H2,1-3H3
InChIKeyLKTDSPZJBYWZNW-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds8

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

2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one (PubChem CID 55094498) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one
PubChem CID55094498
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN(CC)CCOC)C1
InChIInChI=1S/C15H29NO2/c1-4-6-13-7-8-15(17)14(11-13)12-16(5-2)9-10-18-3/h13-14H,4-12H2,1-3H3
InChIKeyLKTDSPZJBYWZNW-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one (CID 55094498) is 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN(CC)CCOC)C1.
What is the InChIKey of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
The InChIKey is LKTDSPZJBYWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-6-13-7-8-15(17)14(11-13)12-16(5-2)9-10-18-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one?
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one has a molecular weight of 255.40 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-methoxyethyl)amino]methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 55094498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).