N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine

C14H21FN2 — CID 60895802

IUPACN'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
SMILESNCCCCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2/c15-13-5-3-4-11(8-13)12-9-14(10-12)17-7-2-1-6-16/h3-5,8,12,14,17H,1-2,6-7,9-10,16H2
InChIKeyZASHWGHEOULBEQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.40
Rot. Bonds6

About N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine

N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine (PubChem CID 60895802) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
PubChem CID60895802
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine
SMILESNCCCCNC1CC(c2cccc(F)c2)C1
InChIInChI=1S/C14H21FN2/c15-13-5-3-4-11(8-13)12-9-14(10-12)17-7-2-1-6-16/h3-5,8,12,14,17H,1-2,6-7,9-10,16H2
InChIKeyZASHWGHEOULBEQ-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(3-fluorophenyl)cyclobutyl]amino]propanenitrile
CID 43634823
3-(3-fluorophenyl)-N-pent-3-ynylcyclobutan-1-amine
CID 116643185
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
N'-[3-(4-bromophenyl)cyclobutyl]butane-1,4-diamine
CID 60895622
N-[3-(3-fluorophenyl)cyclobutyl]hydroxylamine
CID 82686213
3-(3-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]cyclobutan-1-amine
CID 65232395
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
N-[(4-ethylcyclohexyl)methyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 63451775
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
3-(3-methylphenyl)-N-(5,5,5-trifluoropentyl)cyclobutan-1-amine
CID 115517006
N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine?
The IUPAC name of N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine (CID 60895802) is N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine is NCCCCNC1CC(c2cccc(F)c2)C1.
What is the InChIKey of N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine?
The InChIKey is ZASHWGHEOULBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-5-3-4-11(8-13)12-9-14(10-12)17-7-2-1-6-16/h3-5,8,12,14,17H,1-2,6-7,9-10,16H2.
What are the key properties of N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine?
N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-fluorophenyl)cyclobutyl]butane-1,4-diamine is sourced from PubChem (CID 60895802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).