2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine

C9H19NO — CID 102640511

IUPAC2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CNC)COCC
InChIInChI=1S/C9H19NO/c1-5-9(3,7-10-4)8-11-6-2/h5,10H,1,6-8H2,2-4H3
InChIKeyRPXVKOZHZXBLFV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.43
Rot. Bonds6

About 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine

2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640511) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine
PubChem CID102640511
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CNC)COCC
InChIInChI=1S/C9H19NO/c1-5-9(3,7-10-4)8-11-6-2/h5,10H,1,6-8H2,2-4H3
InChIKeyRPXVKOZHZXBLFV-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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,2-dimethyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706232
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706233
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706234
2-methyl-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)but-3-en-1-amine
CID 106706238
{3-[(2,2-Dimethylbut-3-en-1-yl)oxy]-2,2-difluoropropyl}(methyl)amine
CID 165462484
1-[1-(ethoxymethyl)cyclopenta-2,4-dien-1-yl]-N-methylmethanamine
CID 140101467
N-methyl-1-[1-(propoxymethyl)cyclopenta-2,4-dien-1-yl]methanamine
CID 140101561
3-but-3-enoxy-N-methylpropan-1-amine
CID 62440751
3-but-3-enoxy-N-ethylpropan-1-amine
CID 62440752
3-but-3-enoxy-N-propylpropan-1-amine
CID 62442851
N-(3-but-3-enoxypropyl)-2-methylpropan-2-amine
CID 62442854
N-(3-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62442855

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine (CID 102640511) is 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CNC)COCC.
What is the InChIKey of 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is RPXVKOZHZXBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(3,7-10-4)8-11-6-2/h5,10H,1,6-8H2,2-4H3.
What are the key properties of 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine?
2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).