1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine

C16H28N2 — CID 79747783

IUPAC1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1ccc(CC)cn1)NCCC
InChIInChI=1S/C16H28N2/c1-4-7-8-15(17-11-5-2)12-16-10-9-14(6-3)13-18-16/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeyIROGCFGYMOKSCX-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.74
Rot. Bonds9

About 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine

1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine (PubChem CID 79747783) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
PubChem CID79747783
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
SMILESCCCCC(Cc1ccc(CC)cn1)NCCC
InChIInChI=1S/C16H28N2/c1-4-7-8-15(17-11-5-2)12-16-10-9-14(6-3)13-18-16/h9-10,13,15,17H,4-8,11-12H2,1-3H3
InChIKeyIROGCFGYMOKSCX-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
1-(5-ethyl-2-pyridinyl)-N-methyldecan-2-amine
CID 105014407
1-(5-ethyl-2-pyridinyl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105169027
1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 105014705
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
1-(5-ethyl-2-pyridinyl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105168927
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-propoxybutan-2-amine
CID 105168889
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine (CID 79747783) is 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine is CCCCC(Cc1ccc(CC)cn1)NCCC.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine?
The InChIKey is IROGCFGYMOKSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-7-8-15(17-11-5-2)12-16-10-9-14(6-3)13-18-16/h9-10,13,15,17H,4-8,11-12H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine?
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine is sourced from PubChem (CID 79747783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).