2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine

C13H25N3 — CID 115715289

IUPAC2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
SMILESCCC(NCCCn1cc(C)cn1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-13(11(2)3)14-7-6-8-16-10-12(4)9-15-16/h9-11,13-14H,5-8H2,1-4H3
InChIKeyZQIKSHZJSRZIAJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.61
Rot. Bonds7

About 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine

2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine (PubChem CID 115715289) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
PubChem CID115715289
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
SMILESCCC(NCCCn1cc(C)cn1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-13(11(2)3)14-7-6-8-16-10-12(4)9-15-16/h9-11,13-14H,5-8H2,1-4H3
InChIKeyZQIKSHZJSRZIAJ-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine (CID 115715289) is 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine is CCC(NCCCn1cc(C)cn1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine?
The InChIKey is ZQIKSHZJSRZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(11(2)3)14-7-6-8-16-10-12(4)9-15-16/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine?
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 115715289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).