[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine

C9H18N2 — CID 62064120

IUPAC[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C=C/CN1CCC(CN)C1
InChIInChI=1S/C9H18N2/c1-2-3-5-11-6-4-9(7-10)8-11/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyNKRDUBYARHPYDE-NSCUHMNNSA-N
MW154.26 g/mol
LogP0.84
Rot. Bonds3

About [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine

[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine (PubChem CID 62064120) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
PubChem CID62064120
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine
SMILESC/C=C/CN1CCC(CN)C1
InChIInChI=1S/C9H18N2/c1-2-3-5-11-6-4-9(7-10)8-11/h2-3,9H,4-8,10H2,1H3/b3-2+
InChIKeyNKRDUBYARHPYDE-NSCUHMNNSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-chloroprop-2-enyl)pyrrolidin-3-yl]methanamine
CID 76933253
1-[(Z)-but-2-enyl]-4-ethylpiperidine
CID 145238229
2-[1-[(E)-but-2-enyl]azetidin-3-yl]ethanamine
CID 131248661
[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]methanamine
CID 66222772
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
2-(1-but-2-enylpiperidin-4-yl)acetic acid
CID 79606050
1-[(Z)-but-2-enyl]aziridine
CID 5362970
N-[(1-but-2-enylpiperidin-3-yl)methyl]ethanamine
CID 77010197
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine (CID 62064120) is [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine is C/C=C/CN1CCC(CN)C1.
What is the InChIKey of [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine?
The InChIKey is NKRDUBYARHPYDE-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-3-5-11-6-4-9(7-10)8-11/h2-3,9H,4-8,10H2,1H3/b3-2+.
What are the key properties of [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine?
[1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine has a molecular weight of 154.26 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-but-2-enyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62064120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).