N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine

C16H33N3 — CID 55217199

IUPACN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
SMILESCCC1CN(CCNC2CCCCCC2)CCN1C
InChIInChI=1S/C16H33N3/c1-3-16-14-19(13-12-18(16)2)11-10-17-15-8-6-4-5-7-9-15/h15-17H,3-14H2,1-2H3
InChIKeyDCPNGRFFFIXRQW-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine

N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine (PubChem CID 55217199) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
PubChem CID55217199
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine
SMILESCCC1CN(CCNC2CCCCCC2)CCN1C
InChIInChI=1S/C16H33N3/c1-3-16-14-19(13-12-18(16)2)11-10-17-15-8-6-4-5-7-9-15/h15-17H,3-14H2,1-2H3
InChIKeyDCPNGRFFFIXRQW-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanamine
CID 60701363
1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
CID 104746281
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]cyclooctanamine
CID 71383118
N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60701361
1-[2-(cyclohexylamino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167533
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
1-cyclohexyl-N-ethyl-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 104746276
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63621875
3-ethoxy-N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619835
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]cycloheptanamine
CID 62932033

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine (CID 55217199) is N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine is CCC1CN(CCNC2CCCCCC2)CCN1C.
What is the InChIKey of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
The InChIKey is DCPNGRFFFIXRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-16-14-19(13-12-18(16)2)11-10-17-15-8-6-4-5-7-9-15/h15-17H,3-14H2,1-2H3.
What are the key properties of N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine?
N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-4-methylpiperazin-1-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 55217199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).