N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine

C10H16BrN3O — CID 106308448

IUPACN-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
SMILESNCCOCCCNc1ccncc1Br
InChIInChI=1S/C10H16BrN3O/c11-9-8-13-5-2-10(9)14-4-1-6-15-7-3-12/h2,5,8H,1,3-4,6-7,12H2,(H,13,14)
InChIKeyHFJPKZPSYKQPKC-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.62
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine

N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine (PubChem CID 106308448) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
PubChem CID106308448
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC NameN-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine
SMILESNCCOCCCNc1ccncc1Br
InChIInChI=1S/C10H16BrN3O/c11-9-8-13-5-2-10(9)14-4-1-6-15-7-3-12/h2,5,8H,1,3-4,6-7,12H2,(H,13,14)
InChIKeyHFJPKZPSYKQPKC-UHFFFAOYSA-N
XLogP1.62
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830
3-chloro-N-[3-(2-chloroethoxy)propyl]pyridin-4-amine
CID 106306323
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-N-[3-(triazol-1-yl)propyl]pyridin-4-amine
CID 104777254
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-bromopyridin-4-amine
CID 114759206
N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
CID 63767044
5-bromo-4-N-(3-butoxypropyl)pyridine-3,4-diamine
CID 103518486
N-[3-(2-aminoethoxy)propyl]-5-bromo-3-fluoropyridin-2-amine
CID 106308312

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine (CID 106308448) is N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine is NCCOCCCNc1ccncc1Br.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine?
The InChIKey is HFJPKZPSYKQPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c11-9-8-13-5-2-10(9)14-4-1-6-15-7-3-12/h2,5,8H,1,3-4,6-7,12H2,(H,13,14).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine?
N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine has a molecular weight of 274.16 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-3-bromopyridin-4-amine is sourced from PubChem (CID 106308448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).