2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine

C14H27N3S — CID 65133056

IUPAC2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSC(C)(C)C)NCC
InChIInChI=1S/C14H27N3S/c1-6-10-17-13(8-9-16-17)12(15-7-2)11-18-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyFQVMDUOKCCKWKX-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.48
Rot. Bonds7

About 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine

2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine (PubChem CID 65133056) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
PubChem CID65133056
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
SMILESCCCn1nccc1C(CSC(C)(C)C)NCC
InChIInChI=1S/C14H27N3S/c1-6-10-17-13(8-9-16-17)12(15-7-2)11-18-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3
InChIKeyFQVMDUOKCCKWKX-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-ethyl-3-methyl-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 63976154
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
1-(4-bromo-1-propylpyrazol-5-yl)-2-tert-butylsulfanyl-N-ethylethanamine
CID 114653804
N-ethyl-2-phenoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63976177
2-(2-chlorophenyl)-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975748
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
[3-methoxy-3-methyl-1-(2-propylpyrazol-3-yl)butyl]hydrazine
CID 103025317
N-ethyl-2-methyl-2-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975556
N-ethyl-2-(4-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanamine
CID 63975323
N-ethyl-4-methyl-4-(2-propylpyrazol-3-yl)pentan-2-amine
CID 64715540

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine (CID 65133056) is 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine is CCCn1nccc1C(CSC(C)(C)C)NCC.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
The InChIKey is FQVMDUOKCCKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-6-10-17-13(8-9-16-17)12(15-7-2)11-18-14(3,4)5/h8-9,12,15H,6-7,10-11H2,1-5H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine has a molecular weight of 269.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 65133056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).