N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine

C17H35N3 — CID 114539697

IUPACN-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)N(C)C(C)C2)CCCCC1
InChIInChI=1S/C17H35N3/c1-5-18-13-17(9-7-6-8-10-17)14-20-11-15(2)19(4)16(3)12-20/h15-16,18H,5-14H2,1-4H3
InChIKeyNKLGGBVRHDYTCV-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 114539697) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID114539697
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CC(C)N(C)C(C)C2)CCCCC1
InChIInChI=1S/C17H35N3/c1-5-18-13-17(9-7-6-8-10-17)14-20-11-15(2)19(4)16(3)12-20/h15-16,18H,5-14H2,1-4H3
InChIKeyNKLGGBVRHDYTCV-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine (CID 114539697) is N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(CN2CC(C)N(C)C(C)C2)CCCCC1.
What is the InChIKey of N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is NKLGGBVRHDYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-18-13-17(9-7-6-8-10-17)14-20-11-15(2)19(4)16(3)12-20/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 114539697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).