N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine

C16H22N4 — CID 114691535

IUPACN-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1cnnn1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-17-11-13-7-5-6-10-15(13)16-12-18-19-20(16)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,17H,5-7,10-11H2,1H3
InChIKeyRTXDBADPWVMVSM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.76
Rot. Bonds4

About N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine

N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine (PubChem CID 114691535) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine
PubChem CID114691535
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1cnnn1-c1ccccc1
InChIInChI=1S/C16H22N4/c1-17-11-13-7-5-6-10-15(13)16-12-18-19-20(16)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,17H,5-7,10-11H2,1H3
InChIKeyRTXDBADPWVMVSM-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3-phenyltriazol-4-yl)cyclobutyl]methyl]propan-2-amine
CID 114691489
4-(3-phenyltriazol-4-yl)piperidine
CID 84692024
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
5-(4-methyl-1,3-dioxetan-2-yl)-1-phenyltriazole
CID 67576363
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
1-[2-(2-ethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028262
N-methyl-1-[2-(2-phenylcyclopropyl)cyclohexyl]methanamine
CID 116518650
N-methyl-1-(2-pyrazin-2-ylcyclohexyl)methanamine
CID 81028406
N-methyl-1-[2-(2-propan-2-yloxyphenyl)cyclohexyl]methanamine
CID 81027950
N-methyl-1-(2-pyrazin-2-ylcycloheptyl)methanamine
CID 81026451
1-[2-(4-tert-butylphenyl)cyclohexyl]-N-methylmethanamine
CID 81027973

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine (CID 114691535) is N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine is CNCC1CCCCC1c1cnnn1-c1ccccc1.
What is the InChIKey of N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine?
The InChIKey is RTXDBADPWVMVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-17-11-13-7-5-6-10-15(13)16-12-18-19-20(16)14-8-3-2-4-9-14/h2-4,8-9,12-13,15,17H,5-7,10-11H2,1H3.
What are the key properties of N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine?
N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-phenyltriazol-4-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114691535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).