1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine

C15H31N3 — CID 114547038

IUPAC1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2(N)CCCCC2)CC(C)N1C
InChIInChI=1S/C15H31N3/c1-13-11-18(12-14(2)17(13)3)10-9-15(16)7-5-4-6-8-15/h13-14H,4-12,16H2,1-3H3
InChIKeyROYLIXCSRWAXGM-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.06
Rot. Bonds3

About 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine

1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 114547038) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine
PubChem CID114547038
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine
SMILESCC1CN(CCC2(N)CCCCC2)CC(C)N1C
InChIInChI=1S/C15H31N3/c1-13-11-18(12-14(2)17(13)3)10-9-15(16)7-5-4-6-8-15/h13-14H,4-12,16H2,1-3H3
InChIKeyROYLIXCSRWAXGM-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine (CID 114547038) is 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine is CC1CN(CCC2(N)CCCCC2)CC(C)N1C.
What is the InChIKey of 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ROYLIXCSRWAXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13-11-18(12-14(2)17(13)3)10-9-15(16)7-5-4-6-8-15/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine?
1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4,5-trimethylpiperazin-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114547038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).