2-(2-methylprop-2-enoxy)ethanamine

C6H13NO — CID 58684529

IUPAC2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCN
InChIInChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h1,3-5,7H2,2H3
InChIKeyPTLBSSHGCAVKNI-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds4

About 2-(2-methylprop-2-enoxy)ethanamine

2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 58684529) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)ethanamine
PubChem CID58684529
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCN
InChIInChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h1,3-5,7H2,2H3
InChIKeyPTLBSSHGCAVKNI-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.54
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

2-(Prop-2-en-1-yloxy)ethan-1-amine
CID 261273
2-Crotyloxy ethylamine
CID 72391086
3-[2-(Methoxysulfinylamino)ethoxy]-2-methylprop-1-ene
CID 22947398
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404
3-(2-Methylprop-2-enoxy)propan-1-amine
CID 54056372
(S)-2-Allyloxy-propylamine
CID 55273879
2-(Prop-2-en-1-yloxy)propan-1-amine
CID 58684201
1-Prop-2-enoxypropan-2-amine
CID 58684247
2-(3-Methylbut-2-enoxy)ethanamine
CID 58684322
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
2-[2-(2-Methylprop-2-enoxy)ethoxy]ethanamine
CID 82352817
2-(3-Methylbuta-1,3-dien-2-yloxy)ethanamine
CID 88915332

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enoxy)ethanamine (CID 58684529) is 2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCN.
What is the InChIKey of 2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is PTLBSSHGCAVKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2)5-8-4-3-7/h1,3-5,7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoxy)ethanamine?
2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 58684529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).