2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

C16H31N3 — CID 83139112

IUPAC2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C
InChIInChI=1S/C16H31N3/c1-7-13(3)19-10-9-15(18-19)11-14(12-17-8-2)16(4,5)6/h9-10,13-14,17H,7-8,11-12H2,1-6H3
InChIKeyCRWYALQXRGNECA-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.67
Rot. Bonds7

About 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 83139112) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID83139112
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C
InChIInChI=1S/C16H31N3/c1-7-13(3)19-10-9-15(18-19)11-14(12-17-8-2)16(4,5)6/h9-10,13-14,17H,7-8,11-12H2,1-6H3
InChIKeyCRWYALQXRGNECA-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethyl-N-propylbutan-1-amine
CID 83139603
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3,3-dimethylbutan-1-ol
CID 83139654
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83138326
1-(1-butan-2-ylpyrazol-3-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 64777425
3-(1-butan-2-ylpyrazol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 64779069
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
3-[(1-butan-2-ylpyrazol-3-yl)methyl]-N,4-dimethylpentan-2-amine
CID 64786150
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778474
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
3-(3-bromo-2-methylpentyl)-1-butan-2-ylpyrazole
CID 64778850
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanol
CID 64785041

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine (CID 83139112) is 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is CCNCC(Cc1ccn(C(C)CC)n1)C(C)(C)C.
What is the InChIKey of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is CRWYALQXRGNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-7-13(3)19-10-9-15(18-19)11-14(12-17-8-2)16(4,5)6/h9-10,13-14,17H,7-8,11-12H2,1-6H3.
What are the key properties of 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine?
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).