N-ethyl-N-(oxolan-3-ylmethyl)ethanamine

C9H19NO — CID 14323080

IUPACN-ethyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1CCOC1
InChIInChI=1S/C9H19NO/c1-3-10(4-2)7-9-5-6-11-8-9/h9H,3-8H2,1-2H3
InChIKeyAARCUHNYYUWDDY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds4

About N-ethyl-N-(oxolan-3-ylmethyl)ethanamine

N-ethyl-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 14323080) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID14323080
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCN(CC)CC1CCOC1
InChIInChI=1S/C9H19NO/c1-3-10(4-2)7-9-5-6-11-8-9/h9H,3-8H2,1-2H3
InChIKeyAARCUHNYYUWDDY-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)ethanamine (CID 14323080) is N-ethyl-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)ethanamine is CCN(CC)CC1CCOC1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is AARCUHNYYUWDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-10(4-2)7-9-5-6-11-8-9/h9H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)ethanamine?
N-ethyl-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 14323080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).