N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane

C9H21NO — CID 143023503

IUPACN-[(Z)-but-1-enoxy]-N-methylethanamine;ethane
SMILESCC.CC/C=C\ON(C)CC
InChIInChI=1S/C7H15NO.C2H6/c1-4-6-7-9-8(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b7-6-;
InChIKeyAXMAWBMXFGULEZ-NAFXZHHSSA-N
MW159.27 g/mol
LogP2.82
Rot. Bonds4

About N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane

N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane (PubChem CID 143023503) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane.

Molecular Properties

Compound NameN-[(Z)-but-1-enoxy]-N-methylethanamine;ethane
PubChem CID143023503
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-[(Z)-but-1-enoxy]-N-methylethanamine;ethane
SMILESCC.CC/C=C\ON(C)CC
InChIInChI=1S/C7H15NO.C2H6/c1-4-6-7-9-8(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b7-6-;
InChIKeyAXMAWBMXFGULEZ-NAFXZHHSSA-N
XLogP2.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane?
The IUPAC name of N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane (CID 143023503) is N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane.
What is the SMILES notation for N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane?
The canonical SMILES for N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane is CC.CC/C=C\ON(C)CC.
What is the InChIKey of N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane?
The InChIKey is AXMAWBMXFGULEZ-NAFXZHHSSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-4-6-7-9-8(3)5-2;1-2/h6-7H,4-5H2,1-3H3;1-2H3/b7-6-;.
What are the key properties of N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane?
N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane has a molecular weight of 159.27 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-1-enoxy]-N-methylethanamine;ethane is sourced from PubChem (CID 143023503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).