1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine

C17H29BrN2 — CID 105036225

IUPAC1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Br)cn1)NCCC
InChIInChI=1S/C17H29BrN2/c1-3-5-6-7-8-9-16(19-12-4-2)13-17-11-10-15(18)14-20-17/h10-11,14,16,19H,3-9,12-13H2,1-2H3
InChIKeyPUGFBYALGIYBAV-UHFFFAOYSA-N
MW341.34 g/mol
LogP5.12
Rot. Bonds11

About 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine

1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine (PubChem CID 105036225) has the molecular formula C17H29BrN2 and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
PubChem CID105036225
Molecular FormulaC17H29BrN2
Molecular Weight341.34 g/mol
Exact Mass340.15
IUPAC Name1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1ccc(Br)cn1)NCCC
InChIInChI=1S/C17H29BrN2/c1-3-5-6-7-8-9-16(19-12-4-2)13-17-11-10-15(18)14-20-17/h10-11,14,16,19H,3-9,12-13H2,1-2H3
InChIKeyPUGFBYALGIYBAV-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.34
LogP ≤ 55.12
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-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172
1-(5-ethyl-2-pyridinyl)-N-propylhexan-2-amine
CID 79747783
1-(5-bromo-2-pyridinyl)-3-cyclohexyl-N-propylpropan-2-amine
CID 105036172
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
1-(5-bromo-2-pyridinyl)-3-(3-ethoxycyclobutyl)-N-propylpropan-2-amine
CID 103169479
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801503
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
1-(5-bromo-2-pyridinyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 104803952
N-[2-(5-bromo-2-pyridinyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 104800981

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine (CID 105036225) is 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine is CCCCCCCC(Cc1ccc(Br)cn1)NCCC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine?
The InChIKey is PUGFBYALGIYBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BrN2/c1-3-5-6-7-8-9-16(19-12-4-2)13-17-11-10-15(18)14-20-17/h10-11,14,16,19H,3-9,12-13H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine?
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine has a molecular weight of 341.34 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine is sourced from PubChem (CID 105036225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).