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

C13H25N3 — CID 115716328

IUPAC2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
SMILESCCC(NCCCc1cnn(C)c1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-13(11(2)3)14-8-6-7-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeySPDXMXRDXUQVJZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

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

2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine (PubChem CID 115716328) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
PubChem CID115716328
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
SMILESCCC(NCCCc1cnn(C)c1)C(C)C
InChIInChI=1S/C13H25N3/c1-5-13(11(2)3)14-8-6-7-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeySPDXMXRDXUQVJZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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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Related Compounds

N-[1-(1-methylcyclopropyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 115716332
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
4-(5-bromo-6-methylheptyl)-1-methylpyrazole
CID 103016068
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
1-ethoxy-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 103271036
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]butanoic acid
CID 103004675

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine (CID 115716328) is 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine is CCC(NCCCc1cnn(C)c1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine?
The InChIKey is SPDXMXRDXUQVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(11(2)3)14-8-6-7-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine?
2-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]pentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 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-(1-methylpyrazol-4-yl)propyl]pentan-3-amine is sourced from PubChem (CID 115716328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).