2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine

C9H19NO — CID 103074658

IUPAC2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C)CC
InChIInChI=1S/C9H19NO/c1-5-9(3)11-7-8(2)6-10-4/h9-10H,2,5-7H2,1,3-4H3
InChIKeyNWKYOKISSGUFFK-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine

2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103074658) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103074658
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COC(C)CC
InChIInChI=1S/C9H19NO/c1-5-9(3)11-7-8(2)6-10-4/h9-10H,2,5-7H2,1,3-4H3
InChIKeyNWKYOKISSGUFFK-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
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-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
N-propyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074892
N-methyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074894
N-methyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075047
N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075061
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
CID 103075214
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
3-(3-methylbut-3-en-2-yloxy)-N-prop-2-enylpropan-1-amine;molecular hydrogen
CID 142038615
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-[2-(dimethylamino)ethoxymethyl]-N-methylprop-2-en-1-amine
CID 164002361
N-methyl-2-(2-methylprop-2-enoxy)propan-1-amine
CID 62337990

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine (CID 103074658) is 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COC(C)CC.
What is the InChIKey of 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is NWKYOKISSGUFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(3)11-7-8(2)6-10-4/h9-10H,2,5-7H2,1,3-4H3.
What are the key properties of 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine?
2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-yloxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103074658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).