(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine

C9H18N2 — CID 176680312

IUPAC(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
SMILESCC/C=C(/N)C1CCCN1C
InChIInChI=1S/C9H18N2/c1-3-5-8(10)9-6-4-7-11(9)2/h5,9H,3-4,6-7,10H2,1-2H3/b8-5+
InChIKeyZXZHBQVODBQXMR-VMPITWQZSA-N
MW154.26 g/mol
LogP1.33
Rot. Bonds2

About (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine

(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine (PubChem CID 176680312) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
PubChem CID176680312
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine
SMILESCC/C=C(/N)C1CCCN1C
InChIInChI=1S/C9H18N2/c1-3-5-8(10)9-6-4-7-11(9)2/h5,9H,3-4,6-7,10H2,1-2H3/b8-5+
InChIKeyZXZHBQVODBQXMR-VMPITWQZSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Pyrrolidin-1-ylcyclopent-2-en-1-yl)pyrrolidine
CID 14315936
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
CID 156824972
1-[(1S)-2-pyrrolidin-1-ylcyclopent-2-en-1-yl]pyrrolidine
CID 135086292
(Z)-N,N-dimethyl-1-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-2-yl]pent-1-en-1-amine
CID 172335255
(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine
CID 54294380
[(2S)-1-[(E)-4-methylpent-2-enyl]pyrrolidin-2-yl]methanamine
CID 59032697
N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 59779368
N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
CID 67758241
N-methyl-1-(1-methylpyrrolidin-2-yl)ethenamine
CID 67966044
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[[(2R)-5-methylidenepyrrolidin-2-yl]methyl]ethanamine
CID 68019176
(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 70653035
(5Z,7Z)-2-pyrrolidin-1-ylnona-5,7-dien-1-amine
CID 88274871

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The IUPAC name of (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine (CID 176680312) is (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine.
What is the SMILES notation for (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The canonical SMILES for (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine is CC/C=C(/N)C1CCCN1C.
What is the InChIKey of (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
The InChIKey is ZXZHBQVODBQXMR-VMPITWQZSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-5-8(10)9-6-4-7-11(9)2/h5,9H,3-4,6-7,10H2,1-2H3/b8-5+.
What are the key properties of (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine?
(E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyrrolidin-2-yl)but-1-en-1-amine is sourced from PubChem (CID 176680312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).