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

C17H35N3 — CID 63609506

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1N1CCN(C)C(CC)C1
InChIInChI=1S/C17H35N3/c1-5-9-18-16-8-7-14(3)12-17(16)20-11-10-19(4)15(6-2)13-20/h14-18H,5-13H2,1-4H3
InChIKeyLPBDOEHTRFQWRF-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

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

2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine (PubChem CID 63609506) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
PubChem CID63609506
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1N1CCN(C)C(CC)C1
InChIInChI=1S/C17H35N3/c1-5-9-18-16-8-7-14(3)12-17(16)20-11-10-19(4)15(6-2)13-20/h14-18H,5-13H2,1-4H3
InChIKeyLPBDOEHTRFQWRF-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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Related Compounds

4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
CID 62987813
2-(3-ethyl-4-methylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996398
N-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)-4-methylcyclohexan-1-amine
CID 55216764
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55216410
4-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylcyclohexan-1-amine
CID 64570091
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
2-N,4-dimethyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylcyclohexane-1,2-diamine
CID 79313888
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
2-(3-ethyl-4-methylpiperazin-1-yl)cyclopentan-1-amine
CID 63609140

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine (CID 63609506) is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1N1CCN(C)C(CC)C1.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine?
The InChIKey is LPBDOEHTRFQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-9-18-16-8-7-14(3)12-17(16)20-11-10-19(4)15(6-2)13-20/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine 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 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63609506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).