N-methyl-2-(3-methylbut-3-enoxy)ethanamine

C8H17NO — CID 114470713

IUPACN-methyl-2-(3-methylbut-3-enoxy)ethanamine
SMILESC=C(C)CCOCCNC
InChIInChI=1S/C8H17NO/c1-8(2)4-6-10-7-5-9-3/h9H,1,4-7H2,2-3H3
InChIKeyYNJBQHPVMPVKOE-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.19
Rot. Bonds6

About N-methyl-2-(3-methylbut-3-enoxy)ethanamine

N-methyl-2-(3-methylbut-3-enoxy)ethanamine (PubChem CID 114470713) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-methyl-2-(3-methylbut-3-enoxy)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbut-3-enoxy)ethanamine
PubChem CID114470713
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-methyl-2-(3-methylbut-3-enoxy)ethanamine
SMILESC=C(C)CCOCCNC
InChIInChI=1S/C8H17NO/c1-8(2)4-6-10-7-5-9-3/h9H,1,4-7H2,2-3H3
InChIKeyYNJBQHPVMPVKOE-UHFFFAOYSA-N
XLogP1.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.19
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'}

Analyze N-methyl-2-(3-methylbut-3-enoxy)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-methyl-2-(3-methylbut-3-enoxy)ethanamine?
The IUPAC name of N-methyl-2-(3-methylbut-3-enoxy)ethanamine (CID 114470713) is N-methyl-2-(3-methylbut-3-enoxy)ethanamine.
What is the SMILES notation for N-methyl-2-(3-methylbut-3-enoxy)ethanamine?
The canonical SMILES for N-methyl-2-(3-methylbut-3-enoxy)ethanamine is C=C(C)CCOCCNC.
What is the InChIKey of N-methyl-2-(3-methylbut-3-enoxy)ethanamine?
The InChIKey is YNJBQHPVMPVKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(2)4-6-10-7-5-9-3/h9H,1,4-7H2,2-3H3.
What are the key properties of N-methyl-2-(3-methylbut-3-enoxy)ethanamine?
N-methyl-2-(3-methylbut-3-enoxy)ethanamine has a molecular weight of 143.23 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbut-3-enoxy)ethanamine is sourced from PubChem (CID 114470713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).