[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine

C11H15BrN2 — CID 130488636

IUPAC[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-11(2)9(4-13)10(11)7-3-8(12)6-14-5-7/h3,5-6,9-10H,4,13H2,1-2H3
InChIKeyMWCUYHUJEFUKBF-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.54
Rot. Bonds2

About [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine

[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 130488636) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID130488636
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)C(CN)C1c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2/c1-11(2)9(4-13)10(11)7-3-8(12)6-14-5-7/h3,5-6,9-10H,4,13H2,1-2H3
InChIKeyMWCUYHUJEFUKBF-UHFFFAOYSA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine (CID 130488636) is [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)C(CN)C1c1cncc(Br)c1.
What is the InChIKey of [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is MWCUYHUJEFUKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-11(2)9(4-13)10(11)7-3-8(12)6-14-5-7/h3,5-6,9-10H,4,13H2,1-2H3.
What are the key properties of [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine?
[3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 255.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-bromo-3-pyridinyl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 130488636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).