N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine

C19H34N2 — CID 63839591

IUPACN-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cc(C)ccn1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-13-18(20-5-2)19-16-17(3)14-15-21-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyZQPMGHORGVEJTI-UHFFFAOYSA-N
MW290.49 g/mol
LogP5.57
Rot. Bonds12

About N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine

N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine (PubChem CID 63839591) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
PubChem CID63839591
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC NameN-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine
SMILESCCCCCCCCCCC(NCC)c1cc(C)ccn1
InChIInChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-13-18(20-5-2)19-16-17(3)14-15-21-19/h14-16,18,20H,4-13H2,1-3H3
InChIKeyZQPMGHORGVEJTI-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

1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
N-ethyl-4-methoxy-1-(4-methyl-2-pyridinyl)butan-1-amine
CID 115619035
N-ethyl-1-(2-methylpyrimidin-4-yl)heptan-1-amine
CID 113329619
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
N-ethyl-3-methyl-1-(4-methyl-2-pyridinyl)but-3-en-1-amine
CID 79185322
N-ethyl-3-methylidene-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 66038281
N-ethyl-2-(4-methylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 55259074
N-ethyl-2-(4-ethylphenyl)-1-(4-methyl-2-pyridinyl)ethanamine
CID 63841394
4-methyl-2-(1-phenyltridecyl)pyridine
CID 174881850
N-ethyl-1-(5-methylpyrazin-2-yl)decan-1-amine
CID 105124396

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine?
The IUPAC name of N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine (CID 63839591) is N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine is CCCCCCCCCCC(NCC)c1cc(C)ccn1.
What is the InChIKey of N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine?
The InChIKey is ZQPMGHORGVEJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-4-6-7-8-9-10-11-12-13-18(20-5-2)19-16-17(3)14-15-21-19/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine?
N-ethyl-1-(4-methyl-2-pyridinyl)undecan-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 N-ethyl-1-(4-methyl-2-pyridinyl)undecan-1-amine is sourced from PubChem (CID 63839591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).