N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine

C12H25NO — CID 103074530

IUPACN-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h13H,1,8-9H2,2-7H3
InChIKeyXDKWOFJDUBDDAY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.75
Rot. Bonds4

About N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine

N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074530) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
PubChem CID103074530
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COC(C)(C)C
InChIInChI=1S/C12H25NO/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h13H,1,8-9H2,2-7H3
InChIKeyXDKWOFJDUBDDAY-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]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

Related Compounds

N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074931
N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075029
N-tert-butyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075043
N-tert-butyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075057
N-tert-butyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103075211
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
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
N-(3-ethoxypropyl)-2-methylprop-2-en-1-amine
CID 60689898

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine (CID 103074530) is N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine?
The InChIKey is XDKWOFJDUBDDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10(8-13-11(2,3)4)9-14-12(5,6)7/h13H,1,8-9H2,2-7H3.
What are the key properties of N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine?
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).