4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine

C14H23FN4 — CID 155222927

IUPAC4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(Nc2cnc(F)cn2)CC1
InChIInChI=1S/C14H23FN4/c1-14(2,3)19-11-6-4-10(5-7-11)18-13-9-16-12(15)8-17-13/h8-11,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyCBRVJZLWTKVNEJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.73
Rot. Bonds3

About 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine

4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine (PubChem CID 155222927) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine
PubChem CID155222927
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine
SMILESCC(C)(C)NC1CCC(Nc2cnc(F)cn2)CC1
InChIInChI=1S/C14H23FN4/c1-14(2,3)19-11-6-4-10(5-7-11)18-13-9-16-12(15)8-17-13/h8-11,19H,4-7H2,1-3H3,(H,17,18)
InChIKeyCBRVJZLWTKVNEJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine (CID 155222927) is 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine is CC(C)(C)NC1CCC(Nc2cnc(F)cn2)CC1.
What is the InChIKey of 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine?
The InChIKey is CBRVJZLWTKVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4/c1-14(2,3)19-11-6-4-10(5-7-11)18-13-9-16-12(15)8-17-13/h8-11,19H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine?
4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine has a molecular weight of 266.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(5-fluoropyrazin-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 155222927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).