4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine

C15H19N3 — CID 158855450

IUPAC4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESc1ccc(CCCCNCc2ccccn2)nc1
InChIInChI=1S/C15H19N3/c1(7-14-8-2-5-11-17-14)4-10-16-13-15-9-3-6-12-18-15/h2-3,5-6,8-9,11-12,16H,1,4,7,10,13H2
InChIKeyIYQYUUSCLUGYPK-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.59
Rot. Bonds7

About 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine

4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 158855450) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID158855450
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESc1ccc(CCCCNCc2ccccn2)nc1
InChIInChI=1S/C15H19N3/c1(7-14-8-2-5-11-17-14)4-10-16-13-15-9-3-6-12-18-15/h2-3,5-6,8-9,11-12,16H,1,4,7,10,13H2
InChIKeyIYQYUUSCLUGYPK-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-hydroxysulfanyl-N-(pyridin-2-ylmethyl)ethanamine
CID 100924247
4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 114190984
2-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723813

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine (CID 158855450) is 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine is c1ccc(CCCCNCc2ccccn2)nc1.
What is the InChIKey of 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is IYQYUUSCLUGYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1(7-14-8-2-5-11-17-14)4-10-16-13-15-9-3-6-12-18-15/h2-3,5-6,8-9,11-12,16H,1,4,7,10,13H2.
What are the key properties of 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine?
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 158855450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).