N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine

C19H34N2 — CID 105023057

IUPACN-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
SMILESCCCCCCCCCCCC(NC)c1cncc(C)c1
InChIInChI=1S/C19H34N2/c1-4-5-6-7-8-9-10-11-12-13-19(20-3)18-14-17(2)15-21-16-18/h14-16,19-20H,4-13H2,1-3H3
InChIKeyJAGUHNNBZGTABR-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.57
Rot. Bonds12

About N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine

N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine (PubChem CID 105023057) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
PubChem CID105023057
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine
SMILESCCCCCCCCCCCC(NC)c1cncc(C)c1
InChIInChI=1S/C19H34N2/c1-4-5-6-7-8-9-10-11-12-13-19(20-3)18-14-17(2)15-21-16-18/h14-16,19-20H,4-13H2,1-3H3
InChIKeyJAGUHNNBZGTABR-UHFFFAOYSA-N
XLogP5.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
1-(3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 115797265
1-(5-methyl-3-pyridinyl)pentylhydrazine
CID 105245659
N-methyl-1-(5-propoxy-3-pyridinyl)nonan-1-amine
CID 105026682
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
CID 115833289
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
2-ethoxy-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374703
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N-methyl-1-pyrimidin-5-ylpentan-1-amine
CID 79405986
5-methyl-N-octan-2-ylpyridin-3-amine
CID 107584780

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The IUPAC name of N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine (CID 105023057) is N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The canonical SMILES for N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine is CCCCCCCCCCCC(NC)c1cncc(C)c1.
What is the InChIKey of N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine?
The InChIKey is JAGUHNNBZGTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-5-6-7-8-9-10-11-12-13-19(20-3)18-14-17(2)15-21-16-18/h14-16,19-20H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine?
N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine has a molecular weight of 290.50 g/mol, XLogP of 5.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-pyridinyl)dodecan-1-amine is sourced from PubChem (CID 105023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).