(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine

C10H20N2 — CID 106025065

IUPAC(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1CCCN1C
InChIInChI=1S/C10H20N2/c1-3-4-7-11-9-10-6-5-8-12(10)2/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeyMZVXCMKHGVGJTO-ONEGZZNKSA-N
MW168.28 g/mol
LogP1.25
Rot. Bonds4

About (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine

(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine (PubChem CID 106025065) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
PubChem CID106025065
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
SMILESC/C=C/CNCC1CCCN1C
InChIInChI=1S/C10H20N2/c1-3-4-7-11-9-10-6-5-8-12(10)2/h3-4,10-11H,5-9H2,1-2H3/b4-3+
InChIKeyMZVXCMKHGVGJTO-ONEGZZNKSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.25
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 (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-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

(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
2,2-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106024028
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 106025385
N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
2,2-diethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 106025171
N-[(1-methylpyrrolidin-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106025650
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine (CID 106025065) is (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine is C/C=C/CNCC1CCCN1C.
What is the InChIKey of (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine?
The InChIKey is MZVXCMKHGVGJTO-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-7-11-9-10-6-5-8-12(10)2/h3-4,10-11H,5-9H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine?
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine is sourced from PubChem (CID 106025065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).