2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine

C16H31NO — CID 115897076

IUPAC2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
SMILESCCC1CCCC1NC1CCOC(CC)(CC)C1
InChIInChI=1S/C16H31NO/c1-4-13-8-7-9-15(13)17-14-10-11-18-16(5-2,6-3)12-14/h13-15,17H,4-12H2,1-3H3
InChIKeySYFQSWMUORPDJU-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds5

About 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine

2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine (PubChem CID 115897076) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
PubChem CID115897076
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine
SMILESCCC1CCCC1NC1CCOC(CC)(CC)C1
InChIInChI=1S/C16H31NO/c1-4-13-8-7-9-15(13)17-14-10-11-18-16(5-2,6-3)12-14/h13-15,17H,4-12H2,1-3H3
InChIKeySYFQSWMUORPDJU-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-(3-ethylcyclohexyl)oxan-4-amine
CID 82760225
[2-[(2-ethyl-2-methyloxan-4-yl)amino]cyclopentyl]methanol
CID 114178470
N-(3,3-dimethylcyclobutyl)-2-ethylcyclopentan-1-amine
CID 130685162
N-(2-ethylcyclohexyl)oxan-4-amine
CID 43709257
N-(3,5-dimethylcyclohexyl)-2,2-diethyloxan-4-amine
CID 82759904
[2-[(2-ethyl-2-methyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359606
[2-[(2,2-dimethyloxan-4-yl)amino]cyclohexyl]methanol
CID 106359775
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
N-(2-ethylcyclobutyl)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 130670326
N-(2-ethylcyclopropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 114108180
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine (CID 115897076) is 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine is CCC1CCCC1NC1CCOC(CC)(CC)C1.
What is the InChIKey of 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine?
The InChIKey is SYFQSWMUORPDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-13-8-7-9-15(13)17-14-10-11-18-16(5-2,6-3)12-14/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine?
2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-(2-ethylcyclopentyl)oxan-4-amine is sourced from PubChem (CID 115897076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).