2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine

C16H31NO — CID 64920561

IUPAC2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine
SMILESCCC1CCC(NC2CCOC(C)(CC)C2)C1C
InChIInChI=1S/C16H31NO/c1-5-13-7-8-15(12(13)3)17-14-9-10-18-16(4,6-2)11-14/h12-15,17H,5-11H2,1-4H3
InChIKeyCAFDRNCPLYODRY-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine

2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine (PubChem CID 64920561) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine
PubChem CID64920561
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine
SMILESCCC1CCC(NC2CCOC(C)(CC)C2)C1C
InChIInChI=1S/C16H31NO/c1-5-13-7-8-15(12(13)3)17-14-9-10-18-16(4,6-2)11-14/h12-15,17H,5-11H2,1-4H3
InChIKeyCAFDRNCPLYODRY-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine?
The IUPAC name of 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine (CID 64920561) is 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine.
What is the SMILES notation for 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine?
The canonical SMILES for 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine is CCC1CCC(NC2CCOC(C)(CC)C2)C1C.
What is the InChIKey of 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine?
The InChIKey is CAFDRNCPLYODRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-13-7-8-15(12(13)3)17-14-9-10-18-16(4,6-2)11-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine?
2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-ethyl-2-methylcyclopentyl)-2-methyloxan-4-amine is sourced from PubChem (CID 64920561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).