N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine

C15H26N2 — CID 105124578

IUPACN-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
SMILESCCCCCCCC(NC)c1cccnc1C
InChIInChI=1S/C15H26N2/c1-4-5-6-7-8-11-15(16-3)14-10-9-12-17-13(14)2/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyKLPDKMWPNKMMNC-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.01
Rot. Bonds8

About N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine

N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine (PubChem CID 105124578) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
PubChem CID105124578
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
SMILESCCCCCCCC(NC)c1cccnc1C
InChIInChI=1S/C15H26N2/c1-4-5-6-7-8-11-15(16-3)14-10-9-12-17-13(14)2/h9-10,12,15-16H,4-8,11H2,1-3H3
InChIKeyKLPDKMWPNKMMNC-UHFFFAOYSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.01
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-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
N,4-dimethyl-1-(2-methyl-3-pyridinyl)pentan-1-amine
CID 105126712
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
1-(2,6-dimethyl-3-pyridinyl)-N-methyloctan-1-amine
CID 105124721
N-methyl-1-(3-methyl-2-pyridinyl)pentan-1-amine
CID 62604870
1-(2-methoxy-3-pyridinyl)-N-methylpentan-1-amine
CID 105125538
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine?
The IUPAC name of N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine (CID 105124578) is N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine?
The canonical SMILES for N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine is CCCCCCCC(NC)c1cccnc1C.
What is the InChIKey of N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine?
The InChIKey is KLPDKMWPNKMMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-5-6-7-8-11-15(16-3)14-10-9-12-17-13(14)2/h9-10,12,15-16H,4-8,11H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine?
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine is sourced from PubChem (CID 105124578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).