N-ethyl-2-(2-methylidenebutoxy)ethanamine

C9H19NO — CID 66045501

IUPACN-ethyl-2-(2-methylidenebutoxy)ethanamine
SMILESC=C(CC)COCCNCC
InChIInChI=1S/C9H19NO/c1-4-9(3)8-11-7-6-10-5-2/h10H,3-8H2,1-2H3
InChIKeyUPJAEZJRERKTNP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds7

About N-ethyl-2-(2-methylidenebutoxy)ethanamine

N-ethyl-2-(2-methylidenebutoxy)ethanamine (PubChem CID 66045501) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-ethyl-2-(2-methylidenebutoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylidenebutoxy)ethanamine
PubChem CID66045501
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-ethyl-2-(2-methylidenebutoxy)ethanamine
SMILESC=C(CC)COCCNCC
InChIInChI=1S/C9H19NO/c1-4-9(3)8-11-7-6-10-5-2/h10H,3-8H2,1-2H3
InChIKeyUPJAEZJRERKTNP-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylidenebutoxy)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylidenebutoxy)ethanamine (CID 66045501) is N-ethyl-2-(2-methylidenebutoxy)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylidenebutoxy)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylidenebutoxy)ethanamine is C=C(CC)COCCNCC.
What is the InChIKey of N-ethyl-2-(2-methylidenebutoxy)ethanamine?
The InChIKey is UPJAEZJRERKTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-9(3)8-11-7-6-10-5-2/h10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylidenebutoxy)ethanamine?
N-ethyl-2-(2-methylidenebutoxy)ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylidenebutoxy)ethanamine is sourced from PubChem (CID 66045501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).