2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

C17H31NO2 — CID 62707744

IUPAC2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C17H31NO2/c1-4-18(12-16-6-5-9-20-16)11-15-10-14(13(2)3)7-8-17(15)19/h13-16H,4-12H2,1-3H3
InChIKeyWUKBVDSMEKVDOZ-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.13
Rot. Bonds6

About 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 62707744) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID62707744
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCCN(CC1CCCO1)CC1CC(C(C)C)CCC1=O
InChIInChI=1S/C17H31NO2/c1-4-18(12-16-6-5-9-20-16)11-15-10-14(13(2)3)7-8-17(15)19/h13-16H,4-12H2,1-3H3
InChIKeyWUKBVDSMEKVDOZ-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
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(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 62707744) is 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CCN(CC1CCCO1)CC1CC(C(C)C)CCC1=O.
What is the InChIKey of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is WUKBVDSMEKVDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-18(12-16-6-5-9-20-16)11-15-10-14(13(2)3)7-8-17(15)19/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 62707744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).