(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine

C22H34N4 — CID 97060116

IUPAC(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1c(C)nnc1CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C22H34N4/c1-5-26-17(4)24-25-21(26)15-23-22(16(2)3)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h11-14,16,18,22-23H,5-10,15H2,1-4H3/t22-/m1/s1
InChIKeyOVJAVMGRIABKHT-JOCHJYFZSA-N
MW354.54 g/mol
LogP5.14
Rot. Bonds7

About (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine

(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (PubChem CID 97060116) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
PubChem CID97060116
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
SMILESCCn1c(C)nnc1CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C
InChIInChI=1S/C22H34N4/c1-5-26-17(4)24-25-21(26)15-23-22(16(2)3)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h11-14,16,18,22-23H,5-10,15H2,1-4H3/t22-/m1/s1
InChIKeyOVJAVMGRIABKHT-JOCHJYFZSA-N
XLogP5.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

(1S)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1-(3-methyl-2-pyridinyl)propan-1-amine
CID 97060115
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8995537
2-[[(1R)-1-(4-cyclohexylphenyl)-2-methylpropyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8995556
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
1-(4-cyclohexylphenyl)-N-methylethanamine
CID 43484988
ethane;1-ethyl-4-(4-propan-2-ylphenyl)piperidine
CID 176679187
N-[1-(4-cyclohexylphenyl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838175
trans-(1S,2S)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 99834724
trans-(1R,2R)-2-benzyl-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 99834721
cyclohexyl-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methanamine
CID 61377042
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-cyclohexyl-1-(4-cyclohexylphenyl)-N-methylmethanamine
CID 43484996

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine (CID 97060116) is (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine is CCn1c(C)nnc1CN[C@@H](c1ccc(C2CCCCC2)cc1)C(C)C.
What is the InChIKey of (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is OVJAVMGRIABKHT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H34N4/c1-5-26-17(4)24-25-21(26)15-23-22(16(2)3)20-13-11-19(12-14-20)18-9-7-6-8-10-18/h11-14,16,18,22-23H,5-10,15H2,1-4H3/t22-/m1/s1.
What are the key properties of (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine?
(1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 354.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-cyclohexylphenyl)-N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 97060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).