N-[(1-fluorocyclobutyl)methyl]propan-1-amine

C8H16FN — CID 163239306

IUPACN-[(1-fluorocyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(F)CCC1
InChIInChI=1S/C8H16FN/c1-2-6-10-7-8(9)4-3-5-8/h10H,2-7H2,1H3
InChIKeyWRNSXAAHSKSQON-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.88
Rot. Bonds4

About N-[(1-fluorocyclobutyl)methyl]propan-1-amine

N-[(1-fluorocyclobutyl)methyl]propan-1-amine (PubChem CID 163239306) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]propan-1-amine
PubChem CID163239306
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-[(1-fluorocyclobutyl)methyl]propan-1-amine
SMILESCCCNCC1(F)CCC1
InChIInChI=1S/C8H16FN/c1-2-6-10-7-8(9)4-3-5-8/h10H,2-7H2,1H3
InChIKeyWRNSXAAHSKSQON-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.88
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 N-[(1-fluorocyclobutyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]propan-1-amine (CID 163239306) is N-[(1-fluorocyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]propan-1-amine is CCCNCC1(F)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]propan-1-amine?
The InChIKey is WRNSXAAHSKSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-6-10-7-8(9)4-3-5-8/h10H,2-7H2,1H3.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]propan-1-amine?
N-[(1-fluorocyclobutyl)methyl]propan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 163239306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).