5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine

C15H26BrN3 — CID 142246876

IUPAC5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine
SMILESCCCCCCCCCNc1ncc(Br)cc1NC
InChIInChI=1S/C15H26BrN3/c1-3-4-5-6-7-8-9-10-18-15-14(17-2)11-13(16)12-19-15/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyGDLRPRLCGZOYMH-UHFFFAOYSA-N
MW328.30 g/mol
LogP5.05
Rot. Bonds10

About 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine

5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine (PubChem CID 142246876) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine
PubChem CID142246876
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine
SMILESCCCCCCCCCNc1ncc(Br)cc1NC
InChIInChI=1S/C15H26BrN3/c1-3-4-5-6-7-8-9-10-18-15-14(17-2)11-13(16)12-19-15/h11-12,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyGDLRPRLCGZOYMH-UHFFFAOYSA-N
XLogP5.05
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.30
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
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CID 80854822
3-N-decyl-5-iodo-2-N-methylpyridine-2,3-diamine
CID 157403237
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-2-hydrazinyl-N-octylpyridine-3-sulfonamide
CID 115569034
5-bromo-3-chloro-N-propylpyridin-2-amine
CID 82480708
2,5-dibromo-N-decylaniline
CID 63492917
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
3-bromo-8-N-pentylquinoline-5,8-diamine
CID 106948914
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine (CID 142246876) is 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine is CCCCCCCCCNc1ncc(Br)cc1NC.
What is the InChIKey of 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine?
The InChIKey is GDLRPRLCGZOYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-3-4-5-6-7-8-9-10-18-15-14(17-2)11-13(16)12-19-15/h11-12,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine?
5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine has a molecular weight of 328.30 g/mol, XLogP of 5.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-methyl-2-N-nonylpyridine-2,3-diamine is sourced from PubChem (CID 142246876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).