5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine

C11H15BrN2O — CID 75374147

IUPAC5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOCC2CC2)c1
InChIInChI=1S/C11H15BrN2O/c12-10-5-11(7-13-6-10)14-3-4-15-8-9-1-2-9/h5-7,9,14H,1-4,8H2
InChIKeyWZBGTBOJYBXAQK-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.68
Rot. Bonds6

About 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine (PubChem CID 75374147) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine
PubChem CID75374147
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine
SMILESBrc1cncc(NCCOCC2CC2)c1
InChIInChI=1S/C11H15BrN2O/c12-10-5-11(7-13-6-10)14-3-4-15-8-9-1-2-9/h5-7,9,14H,1-4,8H2
InChIKeyWZBGTBOJYBXAQK-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.68
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

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N-(5-Bromo-3-Pyridinyl)-3-Methylbutamide
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N-(oxiran-2-ylmethyl)pyridin-3-amine
CID 44410161
5-Bromo-N-(2-(2-methoxyethoxy)ethyl)pyridin-3-amine
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1-[(5-Bromo-3-pyridinyl)amino]-3-methoxypropan-2-ol
CID 71996439
1-[(5-Bromo-3-pyridinyl)amino]pentan-2-ol
CID 71996476
1-[(5-Bromo-3-pyridinyl)amino]-3-ethoxypropan-2-ol
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Ethyl (5-bromopyridin-3-yl)carbamate
CID 2823185
5-bromo-N-(2-methoxyethyl)pyridin-3-amine
CID 99703569

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine (CID 75374147) is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine is Brc1cncc(NCCOCC2CC2)c1.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine?
The InChIKey is WZBGTBOJYBXAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-5-11(7-13-6-10)14-3-4-15-8-9-1-2-9/h5-7,9,14H,1-4,8H2.
What are the key properties of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine?
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine has a molecular weight of 271.16 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine is sourced from PubChem (CID 75374147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).