2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine

C19H31NO — CID 83035848

IUPAC2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
SMILESCCC1(CC)CC(NC(C)CCc2ccccc2)CCO1
InChIInChI=1S/C19H31NO/c1-4-19(5-2)15-18(13-14-21-19)20-16(3)11-12-17-9-7-6-8-10-17/h6-10,16,18,20H,4-5,11-15H2,1-3H3
InChIKeyGZYOVMVJHZJJHC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.34
Rot. Bonds7

About 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine

2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine (PubChem CID 83035848) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
PubChem CID83035848
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
SMILESCCC1(CC)CC(NC(C)CCc2ccccc2)CCO1
InChIInChI=1S/C19H31NO/c1-4-19(5-2)15-18(13-14-21-19)20-16(3)11-12-17-9-7-6-8-10-17/h6-10,16,18,20H,4-5,11-15H2,1-3H3
InChIKeyGZYOVMVJHZJJHC-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylbutan-2-yl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79899295
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840
2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511
N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83033053
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645
1-benzyl-3-(2,2-diethyloxan-4-yl)urea
CID 103867854
2,2-diethyl-N-(3-phenylcyclobutyl)oxan-4-amine
CID 83035842
N-(2,2-difluoro-2-phenylethyl)-2,2-diethyloxan-4-amine
CID 116789249

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine (CID 83035848) is 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine is CCC1(CC)CC(NC(C)CCc2ccccc2)CCO1.
What is the InChIKey of 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine?
The InChIKey is GZYOVMVJHZJJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-19(5-2)15-18(13-14-21-19)20-16(3)11-12-17-9-7-6-8-10-17/h6-10,16,18,20H,4-5,11-15H2,1-3H3.
What are the key properties of 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine?
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine has a molecular weight of 289.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine is sourced from PubChem (CID 83035848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).