2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine

C20H39N3 — CID 75428008

IUPAC2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
SMILESCC(CN1CCN(C)CC1)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C20H39N3/c1-17(16-23-14-12-22(2)13-15-23)21-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h17-21H,3-16H2,1-2H3
InChIKeyALRJDAOPULMUEH-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.35
Rot. Bonds5

About 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine

2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine (PubChem CID 75428008) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
PubChem CID75428008
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine
SMILESCC(CN1CCN(C)CC1)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C20H39N3/c1-17(16-23-14-12-22(2)13-15-23)21-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h17-21H,3-16H2,1-2H3
InChIKeyALRJDAOPULMUEH-UHFFFAOYSA-N
XLogP3.35
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine?
The IUPAC name of 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine (CID 75428008) is 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine is CC(CN1CCN(C)CC1)NC1CCCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine?
The InChIKey is ALRJDAOPULMUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(16-23-14-12-22(2)13-15-23)21-20-11-7-6-10-19(20)18-8-4-3-5-9-18/h17-21H,3-16H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine?
2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine has a molecular weight of 321.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 75428008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).