(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine

C10H14N2 — CID 55293021

IUPAC(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cccc(C)n1
InChIInChI=1S/C10H14N2/c1-3-5-9(11)10-7-4-6-8(2)12-10/h3-4,6-7,9H,1,5,11H2,2H3/t9-/m0/s1
InChIKeyWGFYMLVQSDBQND-VIFPVBQESA-N
MW162.24 g/mol
LogP1.97
Rot. Bonds3

About (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine

(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine (PubChem CID 55293021) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
PubChem CID55293021
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@H](N)c1cccc(C)n1
InChIInChI=1S/C10H14N2/c1-3-5-9(11)10-7-4-6-8(2)12-10/h3-4,6-7,9H,1,5,11H2,2H3/t9-/m0/s1
InChIKeyWGFYMLVQSDBQND-VIFPVBQESA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.97
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 (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine (CID 55293021) is (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine is C=CC[C@H](N)c1cccc(C)n1.
What is the InChIKey of (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
The InChIKey is WGFYMLVQSDBQND-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2/c1-3-5-9(11)10-7-4-6-8(2)12-10/h3-4,6-7,9H,1,5,11H2,2H3/t9-/m0/s1.
What are the key properties of (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine?
(1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine has a molecular weight of 162.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methyl-2-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 55293021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).