N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine

C17H35N3 — CID 63620914

IUPACN-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H35N3/c1-6-18-16-8-7-14(2)11-15(16)12-20-10-9-19(5)17(3,4)13-20/h14-16,18H,6-13H2,1-5H3
InChIKeySMOUGKHKCCYQBY-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine

N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 63620914) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
PubChem CID63620914
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C17H35N3/c1-6-18-16-8-7-14(2)11-15(16)12-20-10-9-19(5)17(3,4)13-20/h14-16,18H,6-13H2,1-5H3
InChIKeySMOUGKHKCCYQBY-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
N-ethyl-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-amine
CID 66371197
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
CID 64581779
1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474572
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331
2-[(2,5-dimethylmorpholin-4-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 62616102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine (CID 63620914) is N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCN(C)C(C)(C)C1.
What is the InChIKey of N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is SMOUGKHKCCYQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-18-16-8-7-14(2)11-15(16)12-20-10-9-19(5)17(3,4)13-20/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine?
N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 63620914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).