N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine

C11H22N4 — CID 103398443

IUPACN-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-10(2,3)12-7-9-8-15(14-13-9)11(4,5)6/h8,12H,7H2,1-6H3
InChIKeyUTKXANFYQRQJCE-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.92
Rot. Bonds2

About N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 103398443) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID103398443
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C11H22N4/c1-10(2,3)12-7-9-8-15(14-13-9)11(4,5)6/h8,12H,7H2,1-6H3
InChIKeyUTKXANFYQRQJCE-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
N-[(1-tert-butyltriazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
CID 103527388
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-phenylpropan-1-ol
CID 103399455
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 103399091
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
N-[(1-tert-butyltriazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 161032604
N-tert-butyl-2-[(1-tert-butyltriazol-4-yl)methylamino]acetamide
CID 103399299
N-[(1-tert-butyltriazol-4-yl)methyl]-1-pyridin-2-ylmethanamine
CID 103398556
N-[(1-tert-butyltriazol-4-yl)methyl]-4-iodoaniline
CID 103398664
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine (CID 103398443) is N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is UTKXANFYQRQJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-10(2,3)12-7-9-8-15(14-13-9)11(4,5)6/h8,12H,7H2,1-6H3.
What are the key properties of N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltriazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103398443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).