4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine

C11H16BrN3 — CID 104776650

IUPAC4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccncc2Br)CC1
InChIInChI=1S/C11H16BrN3/c12-10-7-14-6-5-11(10)15-9-3-1-8(13)2-4-9/h5-9H,1-4,13H2,(H,14,15)
InChIKeyPRIMQJUOSCNMQM-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.53
Rot. Bonds2

About 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine

4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 104776650) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
PubChem CID104776650
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccncc2Br)CC1
InChIInChI=1S/C11H16BrN3/c12-10-7-14-6-5-11(10)15-9-3-1-8(13)2-4-9/h5-9H,1-4,13H2,(H,14,15)
InChIKeyPRIMQJUOSCNMQM-UHFFFAOYSA-N
XLogP2.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine (CID 104776650) is 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccncc2Br)CC1.
What is the InChIKey of 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is PRIMQJUOSCNMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c12-10-7-14-6-5-11(10)15-9-3-1-8(13)2-4-9/h5-9H,1-4,13H2,(H,14,15).
What are the key properties of 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine?
4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 270.17 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 104776650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).