N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine

C16H24N4 — CID 153440551

IUPACN-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine
SMILESCC(C)N[C@H](c1ccc(C(C)(C)C)cc1)c1cn[nH]n1
InChIInChI=1S/C16H24N4/c1-11(2)18-15(14-10-17-20-19-14)12-6-8-13(9-7-12)16(3,4)5/h6-11,15,18H,1-5H3,(H,17,19,20)/t15-/m1/s1
InChIKeyIIIAZHQPYVCJSQ-OAHLLOKOSA-N
MW272.40 g/mol
LogP3.19
Rot. Bonds4

About N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine

N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine (PubChem CID 153440551) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine
PubChem CID153440551
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine
SMILESCC(C)N[C@H](c1ccc(C(C)(C)C)cc1)c1cn[nH]n1
InChIInChI=1S/C16H24N4/c1-11(2)18-15(14-10-17-20-19-14)12-6-8-13(9-7-12)16(3,4)5/h6-11,15,18H,1-5H3,(H,17,19,20)/t15-/m1/s1
InChIKeyIIIAZHQPYVCJSQ-OAHLLOKOSA-N
XLogP3.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-tert-butylphenyl)-2-(2H-triazol-4-yl)ethyl]-2-methylpropan-2-amine
CID 90210221
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
CID 102754821
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
4-(1-chloroethyl)-2H-triazole
CID 54289123
1-(4-tert-butylphenyl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114994095
1-(4-tert-butylphenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
CID 82313652
[(3-ethylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
CID 105254632
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
CID 103131221
1-(4-tert-butylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 55085542
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
1-(4-tert-butylphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 43674139

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine (CID 153440551) is N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine is CC(C)N[C@H](c1ccc(C(C)(C)C)cc1)c1cn[nH]n1.
What is the InChIKey of N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine?
The InChIKey is IIIAZHQPYVCJSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)18-15(14-10-17-20-19-14)12-6-8-13(9-7-12)16(3,4)5/h6-11,15,18H,1-5H3,(H,17,19,20)/t15-/m1/s1.
What are the key properties of N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine?
N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 153440551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).