N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine

C18H28N4 — CID 90210221

IUPACN-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[C@H](Cc1cn[nH]n1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N4/c1-17(2,3)14-9-7-13(8-10-14)16(20-18(4,5)6)11-15-12-19-22-21-15/h7-10,12,16,20H,11H2,1-6H3,(H,19,21,22)/t16-/m1/s1
InChIKeyKGOFHKAWZSDCJB-MRXNPFEDSA-N
MW300.45 g/mol
LogP3.77
Rot. Bonds4

About N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine

N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 90210221) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine
PubChem CID90210221
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)N[C@H](Cc1cn[nH]n1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N4/c1-17(2,3)14-9-7-13(8-10-14)16(20-18(4,5)6)11-15-12-19-22-21-15/h7-10,12,16,20H,11H2,1-6H3,(H,19,21,22)/t16-/m1/s1
InChIKeyKGOFHKAWZSDCJB-MRXNPFEDSA-N
XLogP3.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(tert-butylamino)-4-(4-tert-butylphenyl)butanenitrile
CID 90210236
N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine
CID 153440551
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
N-[(1R)-1-(4-tert-butylphenyl)prop-2-ynyl]-2-methylpropan-2-amine
CID 90210200
[1-(4-tert-butylphenyl)-3,3-dimethylbutyl]hydrazine
CID 105220487
4-[(tert-butylamino)-(4-tert-butylphenyl)methyl]phenol
CID 90210185
1-(4-tert-butylphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997858
4-[2-(4-ethylsulfonylphenyl)butyl]-2H-triazole
CID 112717764
4-[2-(5-tert-butyl-2-propoxyphenyl)ethyl]-2H-triazole
CID 112718941
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
4-tert-butyl-2H-triazole
CID 20507674
1-(4-tert-butylphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105140459

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine (CID 90210221) is N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)N[C@H](Cc1cn[nH]n1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is KGOFHKAWZSDCJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4/c1-17(2,3)14-9-7-13(8-10-14)16(20-18(4,5)6)11-15-12-19-22-21-15/h7-10,12,16,20H,11H2,1-6H3,(H,19,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine?
N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 300.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 90210221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).