2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C11H23NO — CID 103074424

IUPAC2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWJNAJIUACMAFCT-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds7

About 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074424) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074424
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyWJNAJIUACMAFCT-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028
N-tert-butyl-2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075029
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propan-2-yl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075056
N-tert-butyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074424) is 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCC(C)C.
What is the InChIKey of 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WJNAJIUACMAFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-13-8-11(5)6-12-10(3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).