2-(hexoxymethyl)-N-propylprop-2-en-1-amine

C13H27NO — CID 103074556

IUPAC2-(hexoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCCC
InChIInChI=1S/C13H27NO/c1-4-6-7-8-10-15-12-13(3)11-14-9-5-2/h14H,3-12H2,1-2H3
InChIKeyJGKWEKNMIFYFLL-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds11

About 2-(hexoxymethyl)-N-propylprop-2-en-1-amine

2-(hexoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074556) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(hexoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(hexoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074556
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(hexoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCCCC
InChIInChI=1S/C13H27NO/c1-4-6-7-8-10-15-12-13(3)11-14-9-5-2/h14H,3-12H2,1-2H3
InChIKeyJGKWEKNMIFYFLL-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
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 2-(hexoxymethyl)-N-propylprop-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

6-methoxy-N-(2-methylprop-2-enyl)hexan-1-amine
CID 88906819
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
N-ethyl-6-(2-methylprop-2-enoxy)hexan-1-amine
CID 139904426
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-[2-(2-Methylprop-2-enoxy)ethyl]pyrrolidine
CID 84050137
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319
2-(cyclohexyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074322
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-tert-butyl-2-(cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074325
2-(cyclohexyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074326

Frequently Asked Questions

What is the IUPAC name of 2-(hexoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(hexoxymethyl)-N-propylprop-2-en-1-amine (CID 103074556) is 2-(hexoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(hexoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(hexoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCCCCCC.
What is the InChIKey of 2-(hexoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is JGKWEKNMIFYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-7-8-10-15-12-13(3)11-14-9-5-2/h14H,3-12H2,1-2H3.
What are the key properties of 2-(hexoxymethyl)-N-propylprop-2-en-1-amine?
2-(hexoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).