1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine

C17H30N2 — CID 106755069

IUPAC1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccnc(C)c1
InChIInChI=1S/C17H30N2/c1-4-6-7-8-9-10-17(19-12-5-2)16-11-13-18-15(3)14-16/h11,13-14,17,19H,4-10,12H2,1-3H3
InChIKeyPYARFQYZGIRTQV-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.79
Rot. Bonds10

About 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine

1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine (PubChem CID 106755069) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
PubChem CID106755069
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
SMILESCCCCCCCC(NCCC)c1ccnc(C)c1
InChIInChI=1S/C17H30N2/c1-4-6-7-8-9-10-17(19-12-5-2)16-11-13-18-15(3)14-16/h11,13-14,17,19H,4-10,12H2,1-3H3
InChIKeyPYARFQYZGIRTQV-UHFFFAOYSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.79
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-4-pyridinyl)-N-propylpropan-1-amine
CID 106754843
3-methyl-1-(2-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 106755154
1-(2-methyl-4-pyridinyl)-N-propylbut-3-en-1-amine
CID 106754991
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
N-[2-(4-ethylphenyl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106754960
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(3-fluoro-4-methylphenyl)-N-propylhexan-1-amine
CID 63413658
1-(3-ethoxyphenyl)-N-propylheptan-1-amine
CID 63414677
1-(3-methoxy-4-methylphenyl)-N-propyloctan-1-amine
CID 115832136
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
1-(3-bromophenyl)-N-propyldecan-1-amine
CID 63413098

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine?
The IUPAC name of 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine (CID 106755069) is 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine.
What is the SMILES notation for 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine?
The canonical SMILES for 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine is CCCCCCCC(NCCC)c1ccnc(C)c1.
What is the InChIKey of 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine?
The InChIKey is PYARFQYZGIRTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-6-7-8-9-10-17(19-12-5-2)16-11-13-18-15(3)14-16/h11,13-14,17,19H,4-10,12H2,1-3H3.
What are the key properties of 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine?
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine is sourced from PubChem (CID 106755069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).