N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C18H35N3 — CID 63513000

IUPACN-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C18H35N3/c1-7-9-10-17(8-2)13-21-16(6)18(15(5)20-21)12-19-11-14(3)4/h14,17,19H,7-13H2,1-6H3
InChIKeyXSUFKSMWXUOSDH-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.46
Rot. Bonds10

About N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63513000) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID63513000
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCCC(CC)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C18H35N3/c1-7-9-10-17(8-2)13-21-16(6)18(15(5)20-21)12-19-11-14(3)4/h14,17,19H,7-13H2,1-6H3
InChIKeyXSUFKSMWXUOSDH-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 55110774
4-(1-chloropropyl)-1-(2-ethylhexyl)-3,5-dimethylpyrazole
CID 55223281
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79185975
N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 63514038
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
CID 66400895
2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]butanenitrile
CID 66402269
1-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647632
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82925221
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 63513000) is N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCCCC(CC)Cn1nc(C)c(CNCC(C)C)c1C.
What is the InChIKey of N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is XSUFKSMWXUOSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-9-10-17(8-2)13-21-16(6)18(15(5)20-21)12-19-11-14(3)4/h14,17,19H,7-13H2,1-6H3.
What are the key properties of N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63513000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).