N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine

C9H18N2 — CID 107898844

IUPACN-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
SMILESC/C=C/CNC1CCN(C)C1
InChIInChI=1S/C9H18N2/c1-3-4-6-10-9-5-7-11(2)8-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyNYXJJMASAKCFOM-ONEGZZNKSA-N
MW154.26 g/mol
LogP0.86
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine

N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine (PubChem CID 107898844) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
PubChem CID107898844
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
SMILESC/C=C/CNC1CCN(C)C1
InChIInChI=1S/C9H18N2/c1-3-4-6-10-9-5-7-11(2)8-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+
InChIKeyNYXJJMASAKCFOM-ONEGZZNKSA-N
XLogP0.86
TPSA15.27 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 ≤ 50.86
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

(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
(E)-N-[(1-methylpiperidin-4-yl)methyl]but-2-en-1-amine
CID 107898886
N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
CID 63892267
(E)-N-[(1-methylpiperidin-3-yl)methyl]but-2-en-1-amine
CID 107898888
N-(3-chloro-2-methylprop-2-enyl)-1-methylpyrrolidin-3-amine
CID 106437575
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
(3R)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-methylpyrrolidin-3-amine
CID 124670745
4-[(E)-but-2-enyl]-1-methylpiperidine
CID 176646253
N-hexyl-1-methylpyrrolidin-3-amine
CID 61462127

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine (CID 107898844) is N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine is C/C=C/CNC1CCN(C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine?
The InChIKey is NYXJJMASAKCFOM-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-6-10-9-5-7-11(2)8-9/h3-4,9-10H,5-8H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine?
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 107898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).