3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine

C12H18Br2N2 — CID 105368755

IUPAC3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cnc(N(CCCBr)C(C)C)c(Br)c1
InChIInChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-11(14)7-10(3)8-15-12/h7-9H,4-6H2,1-3H3
InChIKeyTWWVMNGWJSPRKB-UHFFFAOYSA-N
MW350.10 g/mol
LogP4.15
Rot. Bonds5

About 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine

3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine (PubChem CID 105368755) has the molecular formula C12H18Br2N2 and a molecular weight of 350.10 g/mol. Its IUPAC name is 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
PubChem CID105368755
Molecular FormulaC12H18Br2N2
Molecular Weight350.10 g/mol
Exact Mass347.98
IUPAC Name3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine
SMILESCc1cnc(N(CCCBr)C(C)C)c(Br)c1
InChIInChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-11(14)7-10(3)8-15-12/h7-9H,4-6H2,1-3H3
InChIKeyTWWVMNGWJSPRKB-UHFFFAOYSA-N
XLogP4.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.10
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-bromopropyl)-4-methyl-N-propan-2-ylpyridin-2-amine
CID 114869981
3-bromo-5-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 105367387
3-bromo-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 105367794
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
5-bromo-N-(2-bromoethyl)-3-chloro-N-propan-2-ylpyridin-2-amine
CID 103584128
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
5-methyl-2-N-(2-methylpropyl)-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280194
2-N-(3-bromo-5-methyl-2-pyridinyl)-2-N,2-dimethylpropane-1,2-diamine
CID 105368853
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 105366470
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N-(3-bromopropyl)-N-propan-2-ylquinazolin-4-amine
CID 80674456
3-[(5-bromo-3-chloro-2-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 103582964

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine (CID 105368755) is 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine is Cc1cnc(N(CCCBr)C(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine?
The InChIKey is TWWVMNGWJSPRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2N2/c1-9(2)16(6-4-5-13)12-11(14)7-10(3)8-15-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine?
3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine has a molecular weight of 350.10 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromopropyl)-5-methyl-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 105368755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).