N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine

C16H31N3 — CID 105138251

IUPACN-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)c1ccnn1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-15(17-2)16-13-14-18-19(16)3/h13-15,17H,4-12H2,1-3H3
InChIKeyKJXPDMDEZZRJSH-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.21
Rot. Bonds11

About N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine

N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine (PubChem CID 105138251) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
PubChem CID105138251
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
SMILESCCCCCCCCCCC(NC)c1ccnn1C
InChIInChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-15(17-2)16-13-14-18-19(16)3/h13-15,17H,4-12H2,1-3H3
InChIKeyKJXPDMDEZZRJSH-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
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

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5,5,5-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)pentan-1-amine
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1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
N-methyl-1-(2-methylpyrazol-3-yl)-2-propylsulfanylethanamine
CID 65128677
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
5-(3-butylheptan-2-yl)-1-methylpyrazole
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CID 82902583

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine (CID 105138251) is N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine is CCCCCCCCCCC(NC)c1ccnn1C.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine?
The InChIKey is KJXPDMDEZZRJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-5-6-7-8-9-10-11-12-15(17-2)16-13-14-18-19(16)3/h13-15,17H,4-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine?
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine is sourced from PubChem (CID 105138251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).