2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine

C16H33N3 — CID 63609321

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
SMILESCCN1CCN(C2CCCCCCC2NC)CC1C
InChIInChI=1S/C16H33N3/c1-4-18-11-12-19(13-14(18)2)16-10-8-6-5-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyAHXLYFKFXMLSKL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds3

About 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine

2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine (PubChem CID 63609321) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
PubChem CID63609321
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine
SMILESCCN1CCN(C2CCCCCCC2NC)CC1C
InChIInChI=1S/C16H33N3/c1-4-18-11-12-19(13-14(18)2)16-10-8-6-5-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3
InChIKeyAHXLYFKFXMLSKL-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-amine
CID 63610861
(2R)-4-cyclobutyl-1-ethyl-2-methylpiperazine
CID 145118975
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-methyl-2-(4-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63467436
N-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-amine
CID 79930958
N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
CID 55216764
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 79565848
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-one
CID 63610991
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-methylcycloheptan-1-amine
CID 113335649
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine (CID 63609321) is 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine is CCN1CCN(C2CCCCCCC2NC)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine?
The InChIKey is AHXLYFKFXMLSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-18-11-12-19(13-14(18)2)16-10-8-6-5-7-9-15(16)17-3/h14-17H,4-13H2,1-3H3.
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine?
2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-N-methylcyclooctan-1-amine is sourced from PubChem (CID 63609321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).