3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine

C15H18FN — CID 116643185

IUPAC3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
SMILESCC#CCCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN/c1-2-3-4-8-17-15-10-13(11-15)12-6-5-7-14(16)9-12/h5-7,9,13,15,17H,4,8,10-11H2,1H3
InChIKeyXMWLWULJYFADGO-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.07
Rot. Bonds4

About 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine

3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine (PubChem CID 116643185) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
PubChem CID116643185
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
SMILESCC#CCCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C15H18FN/c1-2-3-4-8-17-15-10-13(11-15)12-6-5-7-14(16)9-12/h5-7,9,13,15,17H,4,8,10-11H2,1H3
InChIKeyXMWLWULJYFADGO-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116642832
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
CID 60895802
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
CID 130854690
3-fluoro-N-pent-3-ynylaniline
CID 104744056
3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018189

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine (CID 116643185) is 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine is CC#CCCNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The InChIKey is XMWLWULJYFADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-2-3-4-8-17-15-10-13(11-15)12-6-5-7-14(16)9-12/h5-7,9,13,15,17H,4,8,10-11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine is sourced from PubChem (CID 116643185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).