tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate

C16H31N5O2 — CID 103527141

IUPACtert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C16H31N5O2/c1-14(2,3)21-10-12(19-20-21)9-18-16(7,8)11-17-13(22)23-15(4,5)6/h10,18H,9,11H2,1-8H3,(H,17,22)
InChIKeyHSSAVNFRUSPWNR-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate

tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate (PubChem CID 103527141) has the molecular formula C16H31N5O2 and a molecular weight of 325.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
PubChem CID103527141
Molecular FormulaC16H31N5O2
Molecular Weight325.46 g/mol
Exact Mass325.25
IUPAC Nametert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate
SMILESCC(C)(CNC(=O)OC(C)(C)C)NCc1cn(C(C)(C)C)nn1
InChIInChI=1S/C16H31N5O2/c1-14(2,3)21-10-12(19-20-21)9-18-16(7,8)11-17-13(22)23-15(4,5)6/h10,18H,9,11H2,1-8H3,(H,17,22)
InChIKeyHSSAVNFRUSPWNR-UHFFFAOYSA-N
XLogP2.43
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-tert-butyltriazol-4-yl)methyl]-2-chloroacetamide
CID 166418934
tert-butyl 2-[(1-tert-butyltriazol-4-yl)methylamino]acetate
CID 103399286
tert-butyl N-[1-[(1-tert-butyltriazol-4-yl)methylamino]butan-2-yl]carbamate
CID 107250505
N-[(1-tert-butyltriazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 67952412
tert-butyl N-[2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851547
2-[(1-tert-butyltriazol-4-yl)methylamino]-N-ethylacetamide
CID 103398707
tert-butyl N-[2-methyl-2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]propyl]carbamate
CID 107249153
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314
3-[(1-tert-butyltriazol-4-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 103399373
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropyl]carbamate
CID 103851551
tert-butyl N-[2-methyl-2-[(2,4,6-trimethylphenyl)methylamino]propyl]carbamate
CID 107249252
2-[(1-tert-butyltriazol-4-yl)methylamino]-2-ethylbutan-1-ol
CID 103399061

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate (CID 103527141) is tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate is CC(C)(CNC(=O)OC(C)(C)C)NCc1cn(C(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate?
The InChIKey is HSSAVNFRUSPWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O2/c1-14(2,3)21-10-12(19-20-21)9-18-16(7,8)11-17-13(22)23-15(4,5)6/h10,18H,9,11H2,1-8H3,(H,17,22).
What are the key properties of tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate?
tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate has a molecular weight of 325.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-tert-butyltriazol-4-yl)methylamino]-2-methylpropyl]carbamate is sourced from PubChem (CID 103527141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).