N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine

C11H23FN2 — CID 143330154

IUPACN-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1CCCN1F
InChIInChI=1S/C11H23FN2/c1-11(2,3)6-7-13-9-10-5-4-8-14(10)12/h10,13H,4-9H2,1-3H3
InChIKeyUIIVTGCZLXVODD-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.36
Rot. Bonds4

About N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine

N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 143330154) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID143330154
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC NameN-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCC1CCCN1F
InChIInChI=1S/C11H23FN2/c1-11(2,3)6-7-13-9-10-5-4-8-14(10)12/h10,13H,4-9H2,1-3H3
InChIKeyUIIVTGCZLXVODD-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine (CID 143330154) is N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCC1CCCN1F.
What is the InChIKey of N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is UIIVTGCZLXVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-11(2,3)6-7-13-9-10-5-4-8-14(10)12/h10,13H,4-9H2,1-3H3.
What are the key properties of N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine?
N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 202.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluoropyrrolidin-2-yl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 143330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).