N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C13H25N3S — CID 65132859

IUPACN-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1ccnn1C
InChIInChI=1S/C13H25N3S/c1-6-8-14-11(10-17-13(2,3)4)12-7-9-15-16(12)5/h7,9,11,14H,6,8,10H2,1-5H3
InChIKeyIEQISCXODQNDCG-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.99
Rot. Bonds6

About N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 65132859) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID65132859
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CSC(C)(C)C)c1ccnn1C
InChIInChI=1S/C13H25N3S/c1-6-8-14-11(10-17-13(2,3)4)12-7-9-15-16(12)5/h7,9,11,14H,6,8,10H2,1-5H3
InChIKeyIEQISCXODQNDCG-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 65132859) is N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(CSC(C)(C)C)c1ccnn1C.
What is the InChIKey of N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is IEQISCXODQNDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-8-14-11(10-17-13(2,3)4)12-7-9-15-16(12)5/h7,9,11,14H,6,8,10H2,1-5H3.
What are the key properties of N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65132859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).