1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine

C15H28N4 — CID 107049504

IUPAC1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N4/c1-5-16-14(10-13-11-19(4)18-17-13)12-6-8-15(2,3)9-7-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUFFXSCZXLHEEJI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.55
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107049504) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107049504
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
SMILESCCNC(Cc1cn(C)nn1)C1CCC(C)(C)CC1
InChIInChI=1S/C15H28N4/c1-5-16-14(10-13-11-19(4)18-17-13)12-6-8-15(2,3)9-7-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyUFFXSCZXLHEEJI-UHFFFAOYSA-N
XLogP2.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65392430
N-ethyl-2-(1-methyltriazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanamine
CID 107063738
1-(1,1-dioxothian-2-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064052
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107064360
N-ethyl-2-(1-methyltriazol-4-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 107050253
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-phenylethanamine
CID 65391828
[1-(4-tert-butylcyclohexyl)-2-(1-methyltriazol-4-yl)ethyl]hydrazine
CID 107066160
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107049480
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064143
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 65479391
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
1-(3-bicyclo[3.1.0]hexanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064608

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine (CID 107049504) is 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is CCNC(Cc1cn(C)nn1)C1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is UFFXSCZXLHEEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-16-14(10-13-11-19(4)18-17-13)12-6-8-15(2,3)9-7-12/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine?
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107049504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).