2-pyridin-4-yldecan-3-amine

C15H26N2 — CID 66445976

IUPAC2-pyridin-4-yldecan-3-amine
SMILESCCCCCCCC(N)C(C)c1ccncc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-7-8-15(16)13(2)14-9-11-17-12-10-14/h9-13,15H,3-8,16H2,1-2H3
InChIKeyMSRDIPJOMAGPAD-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.87
Rot. Bonds8

About 2-pyridin-4-yldecan-3-amine

2-pyridin-4-yldecan-3-amine (PubChem CID 66445976) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-pyridin-4-yldecan-3-amine.

Molecular Properties

Compound Name2-pyridin-4-yldecan-3-amine
PubChem CID66445976
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-pyridin-4-yldecan-3-amine
SMILESCCCCCCCC(N)C(C)c1ccncc1
InChIInChI=1S/C15H26N2/c1-3-4-5-6-7-8-15(16)13(2)14-9-11-17-12-10-14/h9-13,15H,3-8,16H2,1-2H3
InChIKeyMSRDIPJOMAGPAD-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 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 ≤ 53.87
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-pyridin-4-ylnonan-1-amine
CID 62600271
(1R)-1-pyridin-4-ylhexan-1-amine
CID 94506997
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270
1-pyridin-4-yltridecan-1-ol
CID 63410309
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
1-pyridin-4-ylheptylhydrazine
CID 105196555
2-pyridin-2-ylnonan-3-amine
CID 114753071
4-[(5S,6S)-6-pyridin-4-yldecan-5-yl]pyridine
CID 125129263
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
N-[(1S)-1-pyridin-4-ylethyl]decan-1-amine
CID 81410025
1-(2-methylphenyl)-4-pyridin-4-ylpentan-3-amine
CID 66447930

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yldecan-3-amine?
The IUPAC name of 2-pyridin-4-yldecan-3-amine (CID 66445976) is 2-pyridin-4-yldecan-3-amine.
What is the SMILES notation for 2-pyridin-4-yldecan-3-amine?
The canonical SMILES for 2-pyridin-4-yldecan-3-amine is CCCCCCCC(N)C(C)c1ccncc1.
What is the InChIKey of 2-pyridin-4-yldecan-3-amine?
The InChIKey is MSRDIPJOMAGPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-4-5-6-7-8-15(16)13(2)14-9-11-17-12-10-14/h9-13,15H,3-8,16H2,1-2H3.
What are the key properties of 2-pyridin-4-yldecan-3-amine?
2-pyridin-4-yldecan-3-amine has a molecular weight of 234.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yldecan-3-amine is sourced from PubChem (CID 66445976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).