3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine

C15H18FN — CID 116642832

IUPAC3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
SMILESCC#CCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,4,9-11H2,1H3
InChIKeySBLJNJCVUWJIAS-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.07
Rot. Bonds4

About 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine

3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine (PubChem CID 116642832) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
PubChem CID116642832
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
SMILESCC#CCCNC1CC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H18FN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,4,9-11H2,1H3
InChIKeySBLJNJCVUWJIAS-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'}

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Related Compounds

3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
N-pent-3-ynylbicyclo[3.1.0]hexan-3-amine
CID 130854690
N-(2,3-dimethylbutyl)-3-(4-fluorophenyl)cyclobutan-1-amine
CID 64568470
3-(4-fluorophenyl)-N-(3-methylsulfonylpropyl)cyclobutan-1-amine
CID 54904499
N-[3-(4-fluorophenyl)cyclobutyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 55097606
1-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]cyclobutan-1-ol
CID 113384067
N-[2-(4-fluorophenyl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632093
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
4-[[[3-(4-fluorophenyl)cyclobutyl]amino]methyl]oxan-4-ol
CID 81130345
1-N-[3-(4-fluorophenyl)cyclobutyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43634263
3-(4-fluorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83143109
3-(4-fluorophenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 54917361

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine (CID 116642832) is 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine is CC#CCCNC1CC(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
The InChIKey is SBLJNJCVUWJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-2-3-4-9-17-15-10-13(11-15)12-5-7-14(16)8-6-12/h5-8,13,15,17H,4,9-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine?
3-(4-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-(4-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine is sourced from PubChem (CID 116642832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).