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

C9H19NO — CID 102640488

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

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

2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine (PubChem CID 102640488) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
PubChem CID102640488
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine
SMILESC=CC(C)(CCOC)CNC
InChIInChI=1S/C9H19NO/c1-5-9(2,8-10-3)6-7-11-4/h5,10H,1,6-8H2,2-4H3
InChIKeyNEALREDUZHJTOM-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-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640593
N-ethyl-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640758
2-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640923
4-butoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938542
4-ethoxy-3,3-dimethyl-N-propylpent-4-en-1-amine
CID 89938639
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
N-(4-methoxybutyl)pent-4-en-1-amine
CID 64315367
N-methyl-4-pent-4-enoxybutan-1-amine
CID 79112838
N,2,2-trimethyl-3-pent-4-enoxypropan-1-amine
CID 79628678
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350
2-Methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]but-3-en-1-amine
CID 102640407

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The IUPAC name of 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine (CID 102640488) is 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine is C=CC(C)(CCOC)CNC.
What is the InChIKey of 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine?
The InChIKey is NEALREDUZHJTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-9(2,8-10-3)6-7-11-4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of 2-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine?
2-(2-methoxyethyl)-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-(2-methoxyethyl)-N,2-dimethylbut-3-en-1-amine is sourced from PubChem (CID 102640488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).