2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine

C13H27NO — CID 103074537

IUPAC2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-5-7-8-13(6-2)11-15-10-12(3)9-14-4/h13-14H,3,5-11H2,1-2,4H3
InChIKeyRKYVLSFNXJBRBU-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds10

About 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine

2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103074537) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103074537
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-5-7-8-13(6-2)11-15-10-12(3)9-14-4/h13-14H,3,5-11H2,1-2,4H3
InChIKeyRKYVLSFNXJBRBU-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074388
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402
2-[(2-ethylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074405
2-[(2-ethylcyclohexyl)oxymethyl]-N-methylprop-2-en-1-amine
CID 103074407
N-ethyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074408
2-[(2-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074412
N-methyl-2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074414

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine (CID 103074537) is 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COCC(CC)CCCC.
What is the InChIKey of 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is RKYVLSFNXJBRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-7-8-13(6-2)11-15-10-12(3)9-14-4/h13-14H,3,5-11H2,1-2,4H3.
What are the key properties of 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine?
2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103074537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).