(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine

C11H16N2 — CID 144848319

IUPAC(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine
SMILESC/C=C\[C@H](NC)c1cccc(C)n1
InChIInChI=1S/C11H16N2/c1-4-6-10(12-3)11-8-5-7-9(2)13-11/h4-8,10,12H,1-3H3/b6-4-/t10-/m0/s1
InChIKeyBUGSQPKOQFAHJX-OAQKJQOQSA-N
MW176.26 g/mol
LogP2.23
Rot. Bonds3

About (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine

(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine (PubChem CID 144848319) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine.

Molecular Properties

Compound Name(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine
PubChem CID144848319
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine
SMILESC/C=C\[C@H](NC)c1cccc(C)n1
InChIInChI=1S/C11H16N2/c1-4-6-10(12-3)11-8-5-7-9(2)13-11/h4-8,10,12H,1-3H3/b6-4-/t10-/m0/s1
InChIKeyBUGSQPKOQFAHJX-OAQKJQOQSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine?
The IUPAC name of (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine (CID 144848319) is (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine.
What is the SMILES notation for (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine?
The canonical SMILES for (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine is C/C=C\[C@H](NC)c1cccc(C)n1.
What is the InChIKey of (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine?
The InChIKey is BUGSQPKOQFAHJX-OAQKJQOQSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-6-10(12-3)11-8-5-7-9(2)13-11/h4-8,10,12H,1-3H3/b6-4-/t10-/m0/s1.
What are the key properties of (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine?
(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine has a molecular weight of 176.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine is sourced from PubChem (CID 144848319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).