2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine

C15H29N3 — CID 83169712

IUPAC2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1CCCC(C)C
InChIInChI=1S/C15H29N3/c1-12(2)8-7-9-18-13(3)14(11-17-18)10-16-15(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyYPJOMJFPYSDYFY-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 83169712) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
PubChem CID83169712
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)(C)C)cnn1CCCC(C)C
InChIInChI=1S/C15H29N3/c1-12(2)8-7-9-18-13(3)14(11-17-18)10-16-15(4,5)6/h11-12,16H,7-10H2,1-6H3
InChIKeyYPJOMJFPYSDYFY-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine (CID 83169712) is 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine is Cc1c(CNC(C)(C)C)cnn1CCCC(C)C.
What is the InChIKey of 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YPJOMJFPYSDYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)8-7-9-18-13(3)14(11-17-18)10-16-15(4,5)6/h11-12,16H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 83169712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).