N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

C15H27BrN4O — CID 106463034

IUPACN-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H27BrN4O/c1-5-17-13(12-14(16)18-19-20(12)4)15(21-6-2)9-7-8-11(3)10-15/h11,13,17H,5-10H2,1-4H3
InChIKeyHBYMOEWUWJQMKO-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.21
Rot. Bonds6

About N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine

N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (PubChem CID 106463034) has the molecular formula C15H27BrN4O and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
PubChem CID106463034
Molecular FormulaC15H27BrN4O
Molecular Weight359.31 g/mol
Exact Mass358.14
IUPAC NameN-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1c(Br)nnn1C)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H27BrN4O/c1-5-17-13(12-14(16)18-19-20(12)4)15(21-6-2)9-7-8-11(3)10-15/h11,13,17H,5-10H2,1-4H3
InChIKeyHBYMOEWUWJQMKO-UHFFFAOYSA-N
XLogP3.21
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 106466257
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830779
1-[(5-bromo-3-methyltriazol-4-yl)-(ethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 106462655
1-(5-bromo-3-methyltriazol-4-yl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 106463020
N-[(1-ethoxy-3-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689341
N-[(5-bromo-3-methyltriazol-4-yl)-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 106462943
N-[(1-ethoxy-3-methylcyclohexyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 116768386
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366
1-(1-ethoxy-3-methylcyclohexyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051193
N-[(1-ethoxy-4-methylcyclohexyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114689332
(4-bromo-1-propylpyrazol-5-yl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 114645893

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine (CID 106463034) is N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is CCNC(c1c(Br)nnn1C)C1(OCC)CCCC(C)C1.
What is the InChIKey of N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is HBYMOEWUWJQMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BrN4O/c1-5-17-13(12-14(16)18-19-20(12)4)15(21-6-2)9-7-8-11(3)10-15/h11,13,17H,5-10H2,1-4H3.
What are the key properties of N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine?
N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 359.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-methyltriazol-4-yl)-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 106463034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).