3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine

C11H20FN3 — CID 172995512

IUPAC3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C)C(C[C@H]1C[C@@H](F)CN1)=C(C)N
InChIInChI=1S/C11H20FN3/c1-7(13)11(8(2)14-3)5-10-4-9(12)6-15-10/h9-10,15H,4-6,13H2,1-3H3/b11-7?,14-8+/t9-,10-/m1/s1
InChIKeyIPQHHRRTWDSRIJ-HKWWNNCDSA-N
MW213.30 g/mol
LogP1.40
Rot. Bonds3

About 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine

3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine (PubChem CID 172995512) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine
PubChem CID172995512
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine
SMILESC/N=C(\C)C(C[C@H]1C[C@@H](F)CN1)=C(C)N
InChIInChI=1S/C11H20FN3/c1-7(13)11(8(2)14-3)5-10-4-9(12)6-15-10/h9-10,15H,4-6,13H2,1-3H3/b11-7?,14-8+/t9-,10-/m1/s1
InChIKeyIPQHHRRTWDSRIJ-HKWWNNCDSA-N
XLogP1.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine?
The IUPAC name of 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine (CID 172995512) is 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine?
The canonical SMILES for 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine is C/N=C(\C)C(C[C@H]1C[C@@H](F)CN1)=C(C)N.
What is the InChIKey of 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine?
The InChIKey is IPQHHRRTWDSRIJ-HKWWNNCDSA-N. The full InChI is InChI=1S/C11H20FN3/c1-7(13)11(8(2)14-3)5-10-4-9(12)6-15-10/h9-10,15H,4-6,13H2,1-3H3/b11-7?,14-8+/t9-,10-/m1/s1.
What are the key properties of 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine?
3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine has a molecular weight of 213.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 172995512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).