3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

C11H23NO — CID 114465748

IUPAC3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyWGBJANDELBNXPY-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine

3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (PubChem CID 114465748) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
PubChem CID114465748
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
SMILESC=C(C)COCCNCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyWGBJANDELBNXPY-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
CID 114467132
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
3-methyl-N-(2-methylprop-2-enoxymethyl)butan-1-amine
CID 21902190
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
N-(2-ethoxyethyl)-2-methylprop-2-en-1-amine
CID 60061045
N-ethyl-2-(2-methylprop-2-enoxy)ethanamine
CID 62336670
N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62571284
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 87899351
N-[2-(2-methylprop-2-enoxy)ethyl]hexan-1-amine
CID 114465725
2-methyl-N-(3-propoxyprop-1-en-2-yl)propan-1-amine
CID 132050825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine (CID 114465748) is 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is C=C(C)COCCNCCC(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
The InChIKey is WGBJANDELBNXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)5-6-12-7-8-13-9-11(3)4/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine?
3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine is sourced from PubChem (CID 114465748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).