1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine

C18H31BrN2 — CID 105036606

IUPAC1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1cncc(Br)c1)NCCC
InChIInChI=1S/C18H31BrN2/c1-3-5-6-7-8-9-10-18(21-11-4-2)13-16-12-17(19)15-20-14-16/h12,14-15,18,21H,3-11,13H2,1-2H3
InChIKeyMVPPUUIOIGGPQR-UHFFFAOYSA-N
MW355.36 g/mol
LogP5.51
Rot. Bonds12

About 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine

1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine (PubChem CID 105036606) has the molecular formula C18H31BrN2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
PubChem CID105036606
Molecular FormulaC18H31BrN2
Molecular Weight355.36 g/mol
Exact Mass354.17
IUPAC Name1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
SMILESCCCCCCCCC(Cc1cncc(Br)c1)NCCC
InChIInChI=1S/C18H31BrN2/c1-3-5-6-7-8-9-10-18(21-11-4-2)13-16-12-17(19)15-20-14-16/h12,14-15,18,21H,3-11,13H2,1-2H3
InChIKeyMVPPUUIOIGGPQR-UHFFFAOYSA-N
XLogP5.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 55.51
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-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982
6-(5-bromo-3-pyridinyl)-N-propylhexan-3-amine
CID 104812007
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-(5-bromo-3-pyridinyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 104802361
1-(5-bromo-3-pyridinyl)-N-propyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148756
1-(5-bromo-3-pyridinyl)-3-(3-fluorophenyl)-N-propylpropan-2-amine
CID 104801501
1-(5-bromo-3-pyridinyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 104801436
1-(5-bromo-2-pyridinyl)-N-propylnonan-2-amine
CID 105036225
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine (CID 105036606) is 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine is CCCCCCCCC(Cc1cncc(Br)c1)NCCC.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine?
The InChIKey is MVPPUUIOIGGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BrN2/c1-3-5-6-7-8-9-10-18(21-11-4-2)13-16-12-17(19)15-20-14-16/h12,14-15,18,21H,3-11,13H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine?
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine has a molecular weight of 355.36 g/mol, XLogP of 5.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine is sourced from PubChem (CID 105036606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).