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

C15H25BrN2 — CID 105036982

IUPAC1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cncc(Br)c1)NC
InChIInChI=1S/C15H25BrN2/c1-3-4-5-6-7-8-15(17-2)10-13-9-14(16)12-18-11-13/h9,11-12,15,17H,3-8,10H2,1-2H3
InChIKeyLYGPUFABCIHYJP-UHFFFAOYSA-N
MW313.28 g/mol
LogP4.34
Rot. Bonds9

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

1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine (PubChem CID 105036982) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
PubChem CID105036982
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC Name1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cncc(Br)c1)NC
InChIInChI=1S/C15H25BrN2/c1-3-4-5-6-7-8-15(17-2)10-13-9-14(16)12-18-11-13/h9,11-12,15,17H,3-8,10H2,1-2H3
InChIKeyLYGPUFABCIHYJP-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 54.34
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-propyldecan-2-amine
CID 105036606
1-(5-bromo-3-pyridinyl)octan-2-amine
CID 105036807
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
N-methyl-1-pyridin-4-yldecan-2-amine
CID 62605644
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907
1-(3,4-dichlorophenyl)-N-methylnonan-2-amine
CID 55186629
1-(3-bromo-4-fluorophenyl)-N-methylnonan-2-amine
CID 115819004
N-methyl-1-phenyldecan-2-amine
CID 63412341
1-(5-bromo-2-pyridinyl)-N-methylheptan-2-amine
CID 105036421
1-(furan-3-yl)-N-methyloctan-2-amine
CID 105029673

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine (CID 105036982) is 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine is CCCCCCCC(Cc1cncc(Br)c1)NC.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine?
The InChIKey is LYGPUFABCIHYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-3-4-5-6-7-8-15(17-2)10-13-9-14(16)12-18-11-13/h9,11-12,15,17H,3-8,10H2,1-2H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine?
1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine has a molecular weight of 313.28 g/mol, XLogP of 4.34, 9 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-methylnonan-2-amine is sourced from PubChem (CID 105036982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).