2-methyl-2-(2-propoxyethyl)but-3-en-1-amine

C10H21NO — CID 106457324

IUPAC2-methyl-2-(2-propoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCC
InChIInChI=1S/C10H21NO/c1-4-7-12-8-6-10(3,5-2)9-11/h5H,2,4,6-9,11H2,1,3H3
InChIKeyMAINMZPYXWAJMX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.95
Rot. Bonds7

About 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine

2-methyl-2-(2-propoxyethyl)but-3-en-1-amine (PubChem CID 106457324) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-propoxyethyl)but-3-en-1-amine
PubChem CID106457324
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-methyl-2-(2-propoxyethyl)but-3-en-1-amine
SMILESC=CC(C)(CN)CCOCCC
InChIInChI=1S/C10H21NO/c1-4-7-12-8-6-10(3,5-2)9-11/h5H,2,4,6-9,11H2,1,3H3
InChIKeyMAINMZPYXWAJMX-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.95
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 2-methyl-2-(2-propoxyethyl)but-3-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-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 102640416
2-(2-Methoxyethyl)-2-methylbut-3-en-1-amine
CID 102640309
2-[2-(2-Methoxyethoxy)ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682411
2-(2-Methoxyethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682416
2-(Methoxymethyl)-2-prop-2-enylpent-4-en-1-amine
CID 170682420
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-prop-2-enylpent-4-en-1-amine
CID 170682425
2,2-Dimethyl-3-pent-4-enoxypropan-1-amine
CID 79628480
2-[2-(2-Methoxyethoxy)ethyl]-2-methylbut-3-en-1-amine
CID 102640311
2-[2-[2-(2-Methoxyethoxy)ethoxy]ethyl]-2-methylbut-3-en-1-amine
CID 102640320
2-(2-Butoxyethyl)-2-methylbut-3-en-1-amine
CID 102640328
2-Ethenyl-5-ethoxy-2-methylpentan-1-amine
CID 102640340
2-(2-Ethoxyethyl)-2-methylbut-3-en-1-amine
CID 102640350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine?
The IUPAC name of 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine (CID 106457324) is 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine is C=CC(C)(CN)CCOCCC.
What is the InChIKey of 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine?
The InChIKey is MAINMZPYXWAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-12-8-6-10(3,5-2)9-11/h5H,2,4,6-9,11H2,1,3H3.
What are the key properties of 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine?
2-methyl-2-(2-propoxyethyl)but-3-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propoxyethyl)but-3-en-1-amine is sourced from PubChem (CID 106457324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).