2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine

C15H27N3O — CID 114527733

IUPAC2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCc2nccn2C)CCO1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)12-13(7-11-19-15)16-8-6-14-17-9-10-18(14)3/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKeyIEECQTBMZKWQES-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds6

About 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine

2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine (PubChem CID 114527733) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
PubChem CID114527733
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine
SMILESCCC1(CC)CC(NCCc2nccn2C)CCO1
InChIInChI=1S/C15H27N3O/c1-4-15(5-2)12-13(7-11-19-15)16-8-6-14-17-9-10-18(14)3/h9-10,13,16H,4-8,11-12H2,1-3H3
InChIKeyIEECQTBMZKWQES-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79894810
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
2,2-diethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103001948
2,2-diethyl-N-(2-pyrazol-1-ylethyl)oxan-4-amine
CID 83032997
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
2,2-diethyl-N-(3-imidazol-1-ylpropyl)oxan-4-amine
CID 83033681
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771
N-[2-(1-methylimidazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 61210136
1,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 81344994
N-(2-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83033801

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine (CID 114527733) is 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine is CCC1(CC)CC(NCCc2nccn2C)CCO1.
What is the InChIKey of 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine?
The InChIKey is IEECQTBMZKWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-15(5-2)12-13(7-11-19-15)16-8-6-14-17-9-10-18(14)3/h9-10,13,16H,4-8,11-12H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine?
2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 114527733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).