N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine

C11H23NO — CID 79337591

IUPACN-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine
SMILESCOCCNCC(C)=CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(8-11(2,3)4)9-12-6-7-13-5/h8,12H,6-7,9H2,1-5H3
InChIKeyMLHSJPLYUPFMLX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds5

About N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine

N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine (PubChem CID 79337591) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine
PubChem CID79337591
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine
SMILESCOCCNCC(C)=CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-10(8-11(2,3)4)9-12-6-7-13-5/h8,12H,6-7,9H2,1-5H3
InChIKeyMLHSJPLYUPFMLX-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl 2-(2-methoxyethylamino)acetate
CID 79271319
3-(3,5-dichlorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337172
3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 83094104
N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79344316
N-(2-methoxyethyl)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-en-1-amine
CID 79337069
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
1-(2-methoxyethylamino)-3-methylbut-3-en-2-one
CID 116591519
3-(3,4-difluorophenyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79337388
2-(2-methoxyethoxy)ethyl 2-(2-methoxyethylamino)acetate
CID 104563269
3-[(3-chloro-2-methylprop-2-enyl)amino]-N-(2-methoxyethyl)propanamide
CID 106438054
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
N-hydroxy-2-(2-methoxyethylamino)acetamide
CID 79282707

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine (CID 79337591) is N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine is COCCNCC(C)=CC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine?
The InChIKey is MLHSJPLYUPFMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(8-11(2,3)4)9-12-6-7-13-5/h8,12H,6-7,9H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine?
N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2,4,4-trimethylpent-2-en-1-amine is sourced from PubChem (CID 79337591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).