N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine

C12H25NO2 — CID 103074456

IUPACN-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)13-8-12(5)9-14-6-7-15-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyLIUKWYPWNODMGI-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.98
Rot. Bonds9

About N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine

N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine (PubChem CID 103074456) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
PubChem CID103074456
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCOC(C)C
InChIInChI=1S/C12H25NO2/c1-10(2)13-8-12(5)9-14-6-7-15-11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyLIUKWYPWNODMGI-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}

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Related Compounds

N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074317
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
2-(methoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074358
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
2-(ethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074365
N-tert-butyl-2-(ethoxymethyl)prop-2-en-1-amine
CID 103074366
2-(ethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074367
2-(2-ethoxyethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074370
N-[2-(2-ethoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074371

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine (CID 103074456) is N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)C)COCCOC(C)C.
What is the InChIKey of N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine?
The InChIKey is LIUKWYPWNODMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)13-8-12(5)9-14-6-7-15-11(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-propan-2-yloxyethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).