N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine

C12H25NO2 — CID 103074662

IUPACN-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCOC
InChIInChI=1S/C12H25NO2/c1-11(9-13-12(2,3)4)10-15-8-6-7-14-5/h13H,1,6-10H2,2-5H3
InChIKeyBLCGTLWJJDTPAV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds8

About N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine (PubChem CID 103074662) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine
PubChem CID103074662
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCCCOC
InChIInChI=1S/C12H25NO2/c1-11(9-13-12(2,3)4)10-15-8-6-7-14-5/h13H,1,6-10H2,2-5H3
InChIKeyBLCGTLWJJDTPAV-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(3-methoxypropoxymethyl)prop-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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine (CID 103074662) is N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCCCOC.
What is the InChIKey of N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine?
The InChIKey is BLCGTLWJJDTPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(9-13-12(2,3)4)10-15-8-6-7-14-5/h13H,1,6-10H2,2-5H3.
What are the key properties of N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methoxypropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).