2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine

C15H31N3 — CID 64762279

IUPAC2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13-4-5-14(2)15(12-13)16-6-7-18-10-8-17(3)9-11-18/h13-16H,4-12H2,1-3H3
InChIKeySPTSQDQRAMWHQX-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds4

About 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine

2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 64762279) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID64762279
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(C)C(NCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-13-4-5-14(2)15(12-13)16-6-7-18-10-8-17(3)9-11-18/h13-16H,4-12H2,1-3H3
InChIKeySPTSQDQRAMWHQX-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,5-trimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 54860823
2,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexan-1-amine
CID 64762697
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 60701471
N-(2,5-dimethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 64776142
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
5-methyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)cyclohexan-1-amine
CID 106324727
trans-(1R,2R)-2-methyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 96923223
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
1,2,5-trimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]piperidin-4-amine
CID 43665481
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
3-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 62573742
2,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexan-1-amine
CID 64775564

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 64762279) is 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine is CC1CCC(C)C(NCCN2CCN(C)CC2)C1.
What is the InChIKey of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is SPTSQDQRAMWHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-4-5-14(2)15(12-13)16-6-7-18-10-8-17(3)9-11-18/h13-16H,4-12H2,1-3H3.
What are the key properties of 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 64762279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).