3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

C11H22FN — CID 81106587

IUPAC3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCC1(C)C(CNCCCF)C1(C)C
InChIInChI=1S/C11H22FN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h9,13H,5-8H2,1-4H3
InChIKeyGLKXMILCIXTGIC-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.62
Rot. Bonds5

About 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine

3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (PubChem CID 81106587) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
PubChem CID81106587
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
SMILESCC1(C)C(CNCCCF)C1(C)C
InChIInChI=1S/C11H22FN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h9,13H,5-8H2,1-4H3
InChIKeyGLKXMILCIXTGIC-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine (CID 81106587) is 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is CC1(C)C(CNCCCF)C1(C)C.
What is the InChIKey of 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is GLKXMILCIXTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h9,13H,5-8H2,1-4H3.
What are the key properties of 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine?
3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 187.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 81106587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).