N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine

C13H26N2O — CID 106617735

IUPACN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine
SMILESC=C(C)CCN(CCOC)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h13-14H,1,4-11H2,2-3H3
InChIKeyCAXNXRIIQBXPEV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds8

About N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine

N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine (PubChem CID 106617735) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine
PubChem CID106617735
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine
SMILESC=C(C)CCN(CCOC)CC1CCCN1
InChIInChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h13-14H,1,4-11H2,2-3H3
InChIKeyCAXNXRIIQBXPEV-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)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-Methoxyethyl)(methyl)((pyrrolidin-2-yl)methyl)amine
CID 50989303
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxyethanamine
CID 43180040
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 58858781
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 58858787
1-[1-(2-methoxyethyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 61567933
ethane;2-methoxy-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine
CID 156727531
2-methoxy-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]ethanamine
CID 52177850
2-methoxy-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 52177852
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(2-methoxyethyl)propan-1-amine
CID 55128341
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 55128531
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55210208
N-ethyl-N-[(4-methoxypyrrolidin-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 61214234

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine (CID 106617735) is N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine is C=C(C)CCN(CCOC)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine?
The InChIKey is CAXNXRIIQBXPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)6-8-15(9-10-16-3)11-13-5-4-7-14-13/h13-14H,1,4-11H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine?
N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-N-(pyrrolidin-2-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 106617735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).