(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine

C10H20N2 — CID 89026080

IUPAC(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESC/C=C/CN1CC[C@H](N(C)C)C1
InChIInChI=1S/C10H20N2/c1-4-5-7-12-8-6-10(9-12)11(2)3/h4-5,10H,6-9H2,1-3H3/b5-4+/t10-/m0/s1
InChIKeyQZBJVZNVRZADCX-YEZKRMTDSA-N
MW168.28 g/mol
LogP1.20
Rot. Bonds3

About (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 89026080) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID89026080
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine
SMILESC/C=C/CN1CC[C@H](N(C)C)C1
InChIInChI=1S/C10H20N2/c1-4-5-7-12-8-6-10(9-12)11(2)3/h4-5,10H,6-9H2,1-3H3/b5-4+/t10-/m0/s1
InChIKeyQZBJVZNVRZADCX-YEZKRMTDSA-N
XLogP1.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.20
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 (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine (CID 89026080) is (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine is C/C=C/CN1CC[C@H](N(C)C)C1.
What is the InChIKey of (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is QZBJVZNVRZADCX-YEZKRMTDSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-5-7-12-8-6-10(9-12)11(2)3/h4-5,10H,6-9H2,1-3H3/b5-4+/t10-/m0/s1.
What are the key properties of (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(E)-but-2-enyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 89026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).