5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine

C12H19BrN2O — CID 100678145

IUPAC5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
SMILESCC(C)COCCCNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-10(2)9-16-5-3-4-15-12-6-11(13)7-14-8-12/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyFVBSCDIFUFTHAP-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.32
Rot. Bonds7

About 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine

5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine (PubChem CID 100678145) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
PubChem CID100678145
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine
SMILESCC(C)COCCCNc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-10(2)9-16-5-3-4-15-12-6-11(13)7-14-8-12/h6-8,10,15H,3-5,9H2,1-2H3
InChIKeyFVBSCDIFUFTHAP-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
5-bromo-3-methyl-N-[3-(2-methylpropoxy)propyl]pyridin-2-amine
CID 113252097
5-bromo-N-hexylpyridin-3-amine
CID 115656852
5-bromo-N-[3-(2-methylpropoxy)propyl]pyrimidin-4-amine
CID 103766959
5-[(5-bromo-3-pyridinyl)amino]pentan-1-ol
CID 107302585
3-bromo-2-N-[3-(2-methylpropoxy)propyl]pyridine-2,5-diamine
CID 114097536
5-bromo-N-pent-4-ynylpyridin-3-amine
CID 103704408
2-[(5-bromo-3-pyridinyl)amino]ethanol
CID 91636071
3-[(5-bromo-3-pyridinyl)amino]propane-1-sulfonamide
CID 104531690
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
N-ethyl-5-[2-(2-methylpropoxy)ethoxy]pyridin-3-amine
CID 106451443
N-(5-bromo-3-pyridinyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104531739

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine (CID 100678145) is 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine is CC(C)COCCCNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine?
The InChIKey is FVBSCDIFUFTHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-10(2)9-16-5-3-4-15-12-6-11(13)7-14-8-12/h6-8,10,15H,3-5,9H2,1-2H3.
What are the key properties of 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine?
5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine has a molecular weight of 287.20 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-methylpropoxy)propyl]pyridin-3-amine is sourced from PubChem (CID 100678145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).