2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine

C15H31NO — CID 65165369

IUPAC2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCC1CCCO1)CNC
InChIInChI=1S/C15H31NO/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyKJZLVNONHLVASB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine

2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine (PubChem CID 65165369) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
PubChem CID65165369
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCC1CCCO1)CNC
InChIInChI=1S/C15H31NO/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeyKJZLVNONHLVASB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
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-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine (CID 65165369) is 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine is CCCCC(CC)(CCC1CCCO1)CNC.
What is the InChIKey of 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine?
The InChIKey is KJZLVNONHLVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-6-10-15(5-2,13-16-3)11-9-14-8-7-12-17-14/h14,16H,4-13H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine?
2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 65165369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).