2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine

C16H33N3 — CID 64751767

IUPAC2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1N1CCN(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-6-17-15-10-12(2)9-13(3)16(15)19-8-7-18(5)14(4)11-19/h12-17H,6-11H2,1-5H3
InChIKeyXTCVSGAGDJKHAX-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds3

About 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine

2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64751767) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64751767
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
SMILESCCNC1CC(C)CC(C)C1N1CCN(C)C(C)C1
InChIInChI=1S/C16H33N3/c1-6-17-15-10-12(2)9-13(3)16(15)19-8-7-18(5)14(4)11-19/h12-17H,6-11H2,1-5H3
InChIKeyXTCVSGAGDJKHAX-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3,5-dimethyl-2-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 64750791
N-ethyl-2-(4-methoxypiperidin-1-yl)-3,5-dimethylcyclohexan-1-amine
CID 64722404
2-(3-ethylpiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64723017
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 115559618
N-ethyl-2-imidazol-1-yl-3,5-dimethylcyclohexan-1-amine
CID 64752363
N-ethyl-3,5-dimethyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 79310026
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 79938671
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781
1-[2,4-dimethyl-6-(propylamino)cyclohexyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81452258
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine (CID 64751767) is 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine is CCNC1CC(C)CC(C)C1N1CCN(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is XTCVSGAGDJKHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-17-15-10-12(2)9-13(3)16(15)19-8-7-18(5)14(4)11-19/h12-17H,6-11H2,1-5H3.
What are the key properties of 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine?
2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64751767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).