1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine

C11H16N2 — CID 83827657

IUPAC1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-8-3-4-10(7-13-8)11(2,12)9-5-6-9/h3-4,7,9H,5-6,12H2,1-2H3
InChIKeyLPKYVLMUODMYLC-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.97
Rot. Bonds2

About 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine

1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 83827657) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID83827657
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(C)(N)C2CC2)cn1
InChIInChI=1S/C11H16N2/c1-8-3-4-10(7-13-8)11(2,12)9-5-6-9/h3-4,7,9H,5-6,12H2,1-2H3
InChIKeyLPKYVLMUODMYLC-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 83827657) is 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(C)(N)C2CC2)cn1.
What is the InChIKey of 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is LPKYVLMUODMYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-3-4-10(7-13-8)11(2,12)9-5-6-9/h3-4,7,9H,5-6,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine?
1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 176.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 83827657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).