N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine

C17H33N3 — CID 105127854

IUPACN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
SMILESCCCCCCCCC(Cc1c(C)nn(C)c1C)NC
InChIInChI=1S/C17H33N3/c1-6-7-8-9-10-11-12-16(18-4)13-17-14(2)19-20(5)15(17)3/h16,18H,6-13H2,1-5H3
InChIKeyGHQLVLRIEAJLTR-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.92
Rot. Bonds10

About N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine

N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine (PubChem CID 105127854) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
PubChem CID105127854
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
SMILESCCCCCCCCC(Cc1c(C)nn(C)c1C)NC
InChIInChI=1S/C17H33N3/c1-6-7-8-9-10-11-12-16(18-4)13-17-14(2)19-20(5)15(17)3/h16,18H,6-13H2,1-5H3
InChIKeyGHQLVLRIEAJLTR-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.92
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-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
CID 105182478
1-(2,5-dimethylpyrazol-3-yl)-N-methylundecan-2-amine
CID 104996240
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)hept-6-yn-2-amine
CID 105179515
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]octan-1-amine
CID 78911426
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079
1-(4-chlorophenyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105085290
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine?
The IUPAC name of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine (CID 105127854) is N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine?
The canonical SMILES for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine is CCCCCCCCC(Cc1c(C)nn(C)c1C)NC.
What is the InChIKey of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine?
The InChIKey is GHQLVLRIEAJLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-6-7-8-9-10-11-12-16(18-4)13-17-14(2)19-20(5)15(17)3/h16,18H,6-13H2,1-5H3.
What are the key properties of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine?
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine has a molecular weight of 279.47 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine is sourced from PubChem (CID 105127854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).