N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine

C16H31N3 — CID 83089811

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cn(C)nc1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-17-13-16-14-19(3)18-15(16)2/h14,17H,4-13H2,1-3H3
InChIKeyMKAKHPJNJDXZEO-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.96
Rot. Bonds11

About N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine (PubChem CID 83089811) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
PubChem CID83089811
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
SMILESCCCCCCCCCCNCc1cn(C)nc1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-17-13-16-14-19(3)18-15(16)2/h14,17H,4-13H2,1-3H3
InChIKeyMKAKHPJNJDXZEO-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N-[(1,3-dimethylpyrazol-4-yl)methyl]hept-6-en-1-amine
CID 107007071
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 83089230
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342
2-cyclobutyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115768183
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine (CID 83089811) is N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine is CCCCCCCCCCNCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine?
The InChIKey is MKAKHPJNJDXZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-17-13-16-14-19(3)18-15(16)2/h14,17H,4-13H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 3.96, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine is sourced from PubChem (CID 83089811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).