2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine

C14H27N3 — CID 64779874

IUPAC2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)n1ccc(CC(C)(CC)CN)n1
InChIInChI=1S/C14H27N3/c1-5-13(6-2)17-9-8-12(16-17)10-14(4,7-3)11-15/h8-9,13H,5-7,10-11,15H2,1-4H3
InChIKeyMKRMZOKNPATTIF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds7

About 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine

2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 64779874) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID64779874
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)n1ccc(CC(C)(CC)CN)n1
InChIInChI=1S/C14H27N3/c1-5-13(6-2)17-9-8-12(16-17)10-14(4,7-3)11-15/h8-9,13H,5-7,10-11,15H2,1-4H3
InChIKeyMKRMZOKNPATTIF-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
2-methyl-N-(2-methylpropyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64777525
2-(aminomethyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butanoic acid
CID 106487387
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
CID 64779275
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 64779477
3-(4-bromo-2,2-dimethylpentyl)-1-pentan-3-ylpyrazole
CID 64778970
2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ol
CID 80557979
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
3-N,3-N,3-trimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentane-2,3-diamine
CID 79063965
4-[2-hydroxy-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]phenol
CID 83058317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine (CID 64779874) is 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine is CCC(CC)n1ccc(CC(C)(CC)CN)n1.
What is the InChIKey of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is MKRMZOKNPATTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-13(6-2)17-9-8-12(16-17)10-14(4,7-3)11-15/h8-9,13H,5-7,10-11,15H2,1-4H3.
What are the key properties of 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine?
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 64779874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).