[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine

C8H15FN2 — CID 145287464

IUPAC[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(CCCF)C1
InChIInChI=1S/C8H15FN2/c9-4-1-2-8-3-5-11(6-8)7-10/h7-8,10H,1-6H2/b10-7+
InChIKeyNMCSJXYMNPNWRW-JXMROGBWSA-N
MW158.22 g/mol
LogP1.67
Rot. Bonds4

About [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine

[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine (PubChem CID 145287464) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine.

Molecular Properties

Compound Name[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine
PubChem CID145287464
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine
SMILES[H]/N=C/N1CCC(CCCF)C1
InChIInChI=1S/C8H15FN2/c9-4-1-2-8-3-5-11(6-8)7-10/h7-8,10H,1-6H2/b10-7+
InChIKeyNMCSJXYMNPNWRW-JXMROGBWSA-N
XLogP1.67
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine?
The IUPAC name of [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine (CID 145287464) is [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine.
What is the SMILES notation for [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine?
The canonical SMILES for [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine is [H]/N=C/N1CCC(CCCF)C1.
What is the InChIKey of [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine?
The InChIKey is NMCSJXYMNPNWRW-JXMROGBWSA-N. The full InChI is InChI=1S/C8H15FN2/c9-4-1-2-8-3-5-11(6-8)7-10/h7-8,10H,1-6H2/b10-7+.
What are the key properties of [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine?
[3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine has a molecular weight of 158.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropropyl)pyrrolidin-1-yl]methanimine is sourced from PubChem (CID 145287464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).