N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine

C17H33N3 — CID 106023294

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3
InChIKeyCUQIZENFHPEPEO-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.17
Rot. Bonds8

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine (PubChem CID 106023294) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
PubChem CID106023294
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine
SMILESCCCCC(CCC)NCc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3
InChIKeyCUQIZENFHPEPEO-UHFFFAOYSA-N
XLogP4.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]octan-4-amine
CID 103781055
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]heptan-2-amine
CID 83086754
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
CID 83086959
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 83089395
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-5-methylhexan-2-amine
CID 83085723
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutan-1-ol
CID 83088814
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-phenylpropan-1-amine
CID 83090335
4-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-5-phenylpentanoic acid
CID 122046059
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-4-amine
CID 114138041
3-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butanoic acid
CID 166224576
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylbutanamide
CID 106344336

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine (CID 106023294) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine is CCCCC(CCC)NCc1cn(C)nc1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
The InChIKey is CUQIZENFHPEPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-9-11-15(10-8-2)18-12-14-13-20(6)19-16(14)17(3,4)5/h13,15,18H,7-12H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine has a molecular weight of 279.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]octan-4-amine is sourced from PubChem (CID 106023294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).