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

C12H24N2O — CID 106617658

IUPACN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H24N2O/c1-4-11(2)14(8-9-15-3)10-12-6-5-7-13-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyQHHKUBLSQWEVOG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds7

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

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine (PubChem CID 106617658) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
PubChem CID106617658
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
SMILESC=CC(C)N(CCOC)CC1CCCN1
InChIInChI=1S/C12H24N2O/c1-4-11(2)14(8-9-15-3)10-12-6-5-7-13-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyQHHKUBLSQWEVOG-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
3-methoxy-2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603209
6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
CID 106605959
1-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605900
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-(2-methoxyethyl)-N-(2-pyrrolidin-2-ylethyl)prop-2-en-1-amine
CID 103339292
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine (CID 106617658) is N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine is C=CC(C)N(CCOC)CC1CCCN1.
What is the InChIKey of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine?
The InChIKey is QHHKUBLSQWEVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-11(2)14(8-9-15-3)10-12-6-5-7-13-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine?
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine is sourced from PubChem (CID 106617658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).