N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine

C13H18N2 — CID 138511910

IUPACN-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=Cc1ccnc(CNCC(=C)C)c1C
InChIInChI=1S/C13H18N2/c1-5-12-6-7-15-13(11(12)4)9-14-8-10(2)3/h5-7,14H,1-2,8-9H2,3-4H3
InChIKeyQCILDPZJDAOYAX-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.70
Rot. Bonds5

About N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine

N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine (PubChem CID 138511910) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
PubChem CID138511910
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
SMILESC=Cc1ccnc(CNCC(=C)C)c1C
InChIInChI=1S/C13H18N2/c1-5-12-6-7-15-13(11(12)4)9-14-8-10(2)3/h5-7,14H,1-2,8-9H2,3-4H3
InChIKeyQCILDPZJDAOYAX-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.70
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 N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine (CID 138511910) is N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine is C=Cc1ccnc(CNCC(=C)C)c1C.
What is the InChIKey of N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
The InChIKey is QCILDPZJDAOYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-12-6-7-15-13(11(12)4)9-14-8-10(2)3/h5-7,14H,1-2,8-9H2,3-4H3.
What are the key properties of N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine?
N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenyl-3-methyl-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 138511910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).