N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine

C16H31N3 — CID 115573303

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
SMILESCCCCCCCCNCCCn1nc(C)cc1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-11-17-12-10-13-19-16(3)14-15(2)18-19/h14,17H,4-13H2,1-3H3
InChIKeyYDGHRRCXVHSYLK-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.84
Rot. Bonds11

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine (PubChem CID 115573303) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
PubChem CID115573303
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
SMILESCCCCCCCCNCCCn1nc(C)cc1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-11-17-12-10-13-19-16(3)14-15(2)18-19/h14,17H,4-13H2,1-3H3
InChIKeyYDGHRRCXVHSYLK-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.84
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

3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
N-tert-butyl-5-(3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 62449266
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine (CID 115573303) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine is CCCCCCCCNCCCn1nc(C)cc1C.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine?
The InChIKey is YDGHRRCXVHSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-5-6-7-8-9-11-17-12-10-13-19-16(3)14-15(2)18-19/h14,17H,4-13H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine is sourced from PubChem (CID 115573303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).