N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine

C14H27N3 — CID 62724346

IUPACN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
SMILESCCn1cc(CC(C)(C)CNC(C)(C)C)cn1
InChIInChI=1S/C14H27N3/c1-7-17-10-12(9-16-17)8-14(5,6)11-15-13(2,3)4/h9-10,15H,7-8,11H2,1-6H3
InChIKeyNZTYLIKIUFSWGH-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.86
Rot. Bonds5

About N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine

N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine (PubChem CID 62724346) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
PubChem CID62724346
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
SMILESCCn1cc(CC(C)(C)CNC(C)(C)C)cn1
InChIInChI=1S/C14H27N3/c1-7-17-10-12(9-16-17)8-14(5,6)11-15-13(2,3)4/h9-10,15H,7-8,11H2,1-6H3
InChIKeyNZTYLIKIUFSWGH-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]hexan-1-amine
CID 62725434
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-N-methylbutan-1-amine
CID 62723442
1-(tert-butylamino)-2-(1-ethylpyrazol-4-yl)propan-2-ol
CID 66038938
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196
1-amino-3-(1-ethylpyrazol-4-yl)-2-methylpropan-2-ol
CID 66037685
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl]-2-methylpentan-1-amine
CID 62725691
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine (CID 62724346) is N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine is CCn1cc(CC(C)(C)CNC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is NZTYLIKIUFSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-17-10-12(9-16-17)8-14(5,6)11-15-13(2,3)4/h9-10,15H,7-8,11H2,1-6H3.
What are the key properties of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine?
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62724346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).