N-tridecan-6-ylpyridin-2-amine

C18H32N2 — CID 170412016

IUPACN-tridecan-6-ylpyridin-2-amine
SMILESCCCCCCCC(CCCCC)Nc1ccccn1
InChIInChI=1S/C18H32N2/c1-3-5-7-8-10-14-17(13-9-6-4-2)20-18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,19,20)
InChIKeyVCATXRQPOGMMHP-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.80
Rot. Bonds12

About N-tridecan-6-ylpyridin-2-amine

N-tridecan-6-ylpyridin-2-amine (PubChem CID 170412016) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-tridecan-6-ylpyridin-2-amine.

Molecular Properties

Compound NameN-tridecan-6-ylpyridin-2-amine
PubChem CID170412016
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-tridecan-6-ylpyridin-2-amine
SMILESCCCCCCCC(CCCCC)Nc1ccccn1
InChIInChI=1S/C18H32N2/c1-3-5-7-8-10-14-17(13-9-6-4-2)20-18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,19,20)
InChIKeyVCATXRQPOGMMHP-UHFFFAOYSA-N
XLogP5.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.80
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-tridecan-6-ylaniline
CID 151143089
1-N'-pyridin-2-ylbutane-1,1-diamine
CID 22118535
2-methyl-N-undecan-6-ylpyridin-3-amine
CID 79042417
3-(pyridin-2-ylamino)hexanoic acid
CID 121217127
2-tridecan-6-ylpyridine
CID 139295924
N-butylpyridin-2-amine
CID 14322668
N-ethyl-1-pyridin-2-yloctan-3-amine
CID 105129891
N-undecan-3-ylaniline
CID 171755615
N-(6-methylheptan-2-yl)pyridin-2-amine
CID 61472531
2-decan-4-ylpyridine
CID 67882797
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
1-pyridin-2-yloctylhydrazine
CID 105195796

Frequently Asked Questions

What is the IUPAC name of N-tridecan-6-ylpyridin-2-amine?
The IUPAC name of N-tridecan-6-ylpyridin-2-amine (CID 170412016) is N-tridecan-6-ylpyridin-2-amine.
What is the SMILES notation for N-tridecan-6-ylpyridin-2-amine?
The canonical SMILES for N-tridecan-6-ylpyridin-2-amine is CCCCCCCC(CCCCC)Nc1ccccn1.
What is the InChIKey of N-tridecan-6-ylpyridin-2-amine?
The InChIKey is VCATXRQPOGMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-3-5-7-8-10-14-17(13-9-6-4-2)20-18-15-11-12-16-19-18/h11-12,15-17H,3-10,13-14H2,1-2H3,(H,19,20).
What are the key properties of N-tridecan-6-ylpyridin-2-amine?
N-tridecan-6-ylpyridin-2-amine has a molecular weight of 276.47 g/mol, XLogP of 5.80, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tridecan-6-ylpyridin-2-amine is sourced from PubChem (CID 170412016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).