N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C18H33N3 — CID 104991781

IUPACN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C18H33N3/c1-8-14(9-2)21-11-10-13(20-21)12-15(19-7)16-17(3,4)18(16,5)6/h10-11,14-16,19H,8-9,12H2,1-7H3
InChIKeyWLVMGDLBCLLQIB-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.06
Rot. Bonds7

About N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 104991781) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID104991781
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)C2C(C)(C)C2(C)C)n1
InChIInChI=1S/C18H33N3/c1-8-14(9-2)21-11-10-13(20-21)12-15(19-7)16-17(3,4)18(16,5)6/h10-11,14-16,19H,8-9,12H2,1-7H3
InChIKeyWLVMGDLBCLLQIB-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine with MolForge

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Related Compounds

N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thian-2-yl)ethanamine
CID 80626578
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
N-methyl-1-(1-methylcyclopentyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991851
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
1-N,1-N,2-N-trimethyl-3-(1-pentan-3-ylpyrazol-3-yl)propane-1,2-diamine
CID 79092424
1-cyclopentylsulfanyl-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 65139202
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
3-methoxy-N-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116715598
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 104991781) is N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CCC(CC)n1ccc(CC(NC)C2C(C)(C)C2(C)C)n1.
What is the InChIKey of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is WLVMGDLBCLLQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-8-14(9-2)21-11-10-13(20-21)12-15(19-7)16-17(3,4)18(16,5)6/h10-11,14-16,19H,8-9,12H2,1-7H3.
What are the key properties of N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 291.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 104991781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).