N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine

C12H24N2 — CID 134318222

IUPACN-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESC/C=C/CN(C)C1CCN(C(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-6-8-13(4)12-7-9-14(10-12)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+
InChIKeyBPNTZQZDFMCCJF-AATRIKPKSA-N
MW196.34 g/mol
LogP1.98
Rot. Bonds4

About N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine

N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 134318222) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID134318222
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESC/C=C/CN(C)C1CCN(C(C)C)C1
InChIInChI=1S/C12H24N2/c1-5-6-8-13(4)12-7-9-14(10-12)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+
InChIKeyBPNTZQZDFMCCJF-AATRIKPKSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine (CID 134318222) is N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine is C/C=C/CN(C)C1CCN(C(C)C)C1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is BPNTZQZDFMCCJF-AATRIKPKSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-6-8-13(4)12-7-9-14(10-12)11(2)3/h5-6,11-12H,7-10H2,1-4H3/b6-5+.
What are the key properties of N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine?
N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-methyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 134318222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).