3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine

C16H25FN2 — CID 79461883

IUPAC3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine
SMILESCC(C)(C)C(NC1CCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(2,3)15(11-4-6-12(17)7-5-11)19-14-9-8-13(18)10-14/h4-7,13-15,19H,8-10,18H2,1-3H3
InChIKeyUJLUNCQNXDCGTG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.38
Rot. Bonds3

About 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine

3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine (PubChem CID 79461883) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine
PubChem CID79461883
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine
SMILESCC(C)(C)C(NC1CCC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-16(2,3)15(11-4-6-12(17)7-5-11)19-14-9-8-13(18)10-14/h4-7,13-15,19H,8-10,18H2,1-3H3
InChIKeyUJLUNCQNXDCGTG-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine (CID 79461883) is 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine is CC(C)(C)C(NC1CCC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine?
The InChIKey is UJLUNCQNXDCGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,3)15(11-4-6-12(17)7-5-11)19-14-9-8-13(18)10-14/h4-7,13-15,19H,8-10,18H2,1-3H3.
What are the key properties of 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine?
3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).