N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine

C8H17NO — CID 135128671

IUPACN-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine
SMILESC/C=C(/C)COCNCC
InChIInChI=1S/C8H17NO/c1-4-8(3)6-10-7-9-5-2/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyVMJLNMPTNCPPTQ-YWEYNIOJSA-N
MW143.23 g/mol
LogP1.54
Rot. Bonds5

About N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine

N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine (PubChem CID 135128671) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine
PubChem CID135128671
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine
SMILESC/C=C(/C)COCNCC
InChIInChI=1S/C8H17NO/c1-4-8(3)6-10-7-9-5-2/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyVMJLNMPTNCPPTQ-YWEYNIOJSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine?
The IUPAC name of N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine (CID 135128671) is N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine.
What is the SMILES notation for N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine?
The canonical SMILES for N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine is C/C=C(/C)COCNCC.
What is the InChIKey of N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine?
The InChIKey is VMJLNMPTNCPPTQ-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(3)6-10-7-9-5-2/h4,9H,5-7H2,1-3H3/b8-4-.
What are the key properties of N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine?
N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-methylbut-2-enoxy]methyl]ethanamine is sourced from PubChem (CID 135128671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).