4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine

C15H28N4 — CID 176949865

IUPAC4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)N1CCN(CCC2(N)C=CC(N)=CC2)CC1
InChIInChI=1S/C15H28N4/c1-13(2)19-11-9-18(10-12-19)8-7-15(17)5-3-14(16)4-6-15/h3-5,13H,6-12,16-17H2,1-2H3
InChIKeyABZUYCXFAPRQRC-UHFFFAOYSA-N
MW264.42 g/mol
LogP0.90
Rot. Bonds4

About 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine

4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine (PubChem CID 176949865) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine
PubChem CID176949865
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)N1CCN(CCC2(N)C=CC(N)=CC2)CC1
InChIInChI=1S/C15H28N4/c1-13(2)19-11-9-18(10-12-19)8-7-15(17)5-3-14(16)4-6-15/h3-5,13H,6-12,16-17H2,1-2H3
InChIKeyABZUYCXFAPRQRC-UHFFFAOYSA-N
XLogP0.90
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine (CID 176949865) is 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine is CC(C)N1CCN(CCC2(N)C=CC(N)=CC2)CC1.
What is the InChIKey of 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is ABZUYCXFAPRQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-13(2)19-11-9-18(10-12-19)8-7-15(17)5-3-14(16)4-6-15/h3-5,13H,6-12,16-17H2,1-2H3.
What are the key properties of 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine?
4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 264.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 176949865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).