4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine

C12H20N4 — CID 79111979

IUPAC4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine
SMILESCCN(c1cnccn1)C1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-2-16(12-9-14-7-8-15-12)11-5-3-10(13)4-6-11/h7-11H,2-6,13H2,1H3
InChIKeyNHYXJQWAXBTNAA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.57
Rot. Bonds3

About 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine

4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine (PubChem CID 79111979) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine
PubChem CID79111979
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine
SMILESCCN(c1cnccn1)C1CCC(N)CC1
InChIInChI=1S/C12H20N4/c1-2-16(12-9-14-7-8-15-12)11-5-3-10(13)4-6-11/h7-11H,2-6,13H2,1H3
InChIKeyNHYXJQWAXBTNAA-UHFFFAOYSA-N
XLogP1.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine (CID 79111979) is 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine is CCN(c1cnccn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine?
The InChIKey is NHYXJQWAXBTNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-16(12-9-14-7-8-15-12)11-5-3-10(13)4-6-11/h7-11H,2-6,13H2,1H3.
What are the key properties of 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine?
4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-pyrazin-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).