3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine

C12H25NO2 — CID 145279702

IUPAC3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
SMILESC=CCOC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C12H25NO2/c1-6-9-14-12(4,5)10-15-11(2,3)7-8-13/h6H,1,7-10,13H2,2-5H3
InChIKeyINPYTJANWGNNFM-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.11
Rot. Bonds8

About 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine

3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine (PubChem CID 145279702) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
PubChem CID145279702
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine
SMILESC=CCOC(C)(C)COC(C)(C)CCN
InChIInChI=1S/C12H25NO2/c1-6-9-14-12(4,5)10-15-11(2,3)7-8-13/h6H,1,7-10,13H2,2-5H3
InChIKeyINPYTJANWGNNFM-UHFFFAOYSA-N
XLogP2.11
TPSA44.48 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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-3-prop-2-enoxybutan-1-amine
CID 142450320
3-[(E)-3-methoxybut-2-enoxy]-3-methylbutan-1-amine
CID 173379348
3-Methyl-3-prop-2-enoxybutan-1-amine;molecular hydrogen
CID 177036551
2-[2-[(2-Methylpropan-2-yl)oxy]ethoxymethyl]prop-2-en-1-amine
CID 103075073
(E)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]but-2-en-1-amine
CID 112587722
3-Methyl-3-prop-2-enoxybutan-1-amine
CID 177036552

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine?
The IUPAC name of 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine (CID 145279702) is 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine?
The canonical SMILES for 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine is C=CCOC(C)(C)COC(C)(C)CCN.
What is the InChIKey of 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine?
The InChIKey is INPYTJANWGNNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-9-14-12(4,5)10-15-11(2,3)7-8-13/h6H,1,7-10,13H2,2-5H3.
What are the key properties of 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine?
3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methyl-2-prop-2-enoxypropoxy)butan-1-amine is sourced from PubChem (CID 145279702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).