2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine

C14H27N3 — CID 58808319

IUPAC2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)CC(CNCc1ccn[nH]1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(2)8-12(14(3,4)5)9-15-10-13-6-7-16-17-13/h6-7,11-12,15H,8-10H2,1-5H3,(H,16,17)
InChIKeyODAXTPVSHOACJO-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds6

About 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine

2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine (PubChem CID 58808319) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine
PubChem CID58808319
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine
SMILESCC(C)CC(CNCc1ccn[nH]1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-11(2)8-12(14(3,4)5)9-15-10-13-6-7-16-17-13/h6-7,11-12,15H,8-10H2,1-5H3,(H,16,17)
InChIKeyODAXTPVSHOACJO-UHFFFAOYSA-N
XLogP3.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine?
The IUPAC name of 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine (CID 58808319) is 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine is CC(C)CC(CNCc1ccn[nH]1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine?
The InChIKey is ODAXTPVSHOACJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)8-12(14(3,4)5)9-15-10-13-6-7-16-17-13/h6-7,11-12,15H,8-10H2,1-5H3,(H,16,17).
What are the key properties of 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine?
2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine is sourced from PubChem (CID 58808319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).