2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine

C15H29N3 — CID 64778089

IUPAC2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
SMILESCCC(CC)n1ccc(CCCNCC(C)C)n1
InChIInChI=1S/C15H29N3/c1-5-15(6-2)18-11-9-14(17-18)8-7-10-16-12-13(3)4/h9,11,13,15-16H,5-8,10,12H2,1-4H3
InChIKeyGEWHJCJKSJNGCE-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.42
Rot. Bonds9

About 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine

2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine (PubChem CID 64778089) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
PubChem CID64778089
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine
SMILESCCC(CC)n1ccc(CCCNCC(C)C)n1
InChIInChI=1S/C15H29N3/c1-5-15(6-2)18-11-9-14(17-18)8-7-10-16-12-13(3)4/h9,11,13,15-16H,5-8,10,12H2,1-4H3
InChIKeyGEWHJCJKSJNGCE-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.42
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

2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
N-ethyl-2-methyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777005
2-methyl-N-(2-methylpropyl)-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64777525
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777204
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine (CID 64778089) is 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine is CCC(CC)n1ccc(CCCNCC(C)C)n1.
What is the InChIKey of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine?
The InChIKey is GEWHJCJKSJNGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-5-15(6-2)18-11-9-14(17-18)8-7-10-16-12-13(3)4/h9,11,13,15-16H,5-8,10,12H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine?
2-methyl-N-[3-(1-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.42, 9 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-pentan-3-ylpyrazol-3-yl)propyl]propan-1-amine is sourced from PubChem (CID 64778089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).