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

C19H34N2 — CID 63840406

IUPAC1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1cc(C)ccn1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-18(20-14-5-2)19-16-17(3)13-15-21-19/h13,15-16,18,20H,4-12,14H2,1-3H3
InChIKeyUUQHHQJMYNMTBG-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.57
Rot. Bonds12

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

1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine (PubChem CID 63840406) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
PubChem CID63840406
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)c1cc(C)ccn1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-18(20-14-5-2)19-16-17(3)13-15-21-19/h13,15-16,18,20H,4-12,14H2,1-3H3
InChIKeyUUQHHQJMYNMTBG-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 ≤ 500290.49
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

N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
CID 63839591
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
1-(2-methyl-4-pyridinyl)-N-propyloctan-1-amine
CID 106755069
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65164814
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
4-methyl-2-(1-phenyltridecyl)pyridine
CID 174881850
1-(3,5-dimethylphenyl)-N-propyloctan-1-amine
CID 115796817
1-(2-bromo-4-methylphenyl)-N-propyloctan-1-amine
CID 115832077
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
N-[2-(5-chloro-2-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 103048671

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine (CID 63840406) is 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine is CCCCCCCCCC(NCCC)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine?
The InChIKey is UUQHHQJMYNMTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-18(20-14-5-2)19-16-17(3)13-15-21-19/h13,15-16,18,20H,4-12,14H2,1-3H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine?
1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine has a molecular weight of 290.49 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 1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine is sourced from PubChem (CID 63840406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).