(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine

C13H20N2O — CID 115924151

IUPAC(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-14-10-12-9-13(16-3)8-11(2)15-12/h4-5,8-9,14H,6-7,10H2,1-3H3/b5-4+
InChIKeyXFZBEIIBBGSOAF-SNAWJCMRSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds6

About (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine

(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine (PubChem CID 115924151) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
PubChem CID115924151
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O/c1-4-5-6-7-14-10-12-9-13(16-3)8-11(2)15-12/h4-5,8-9,14H,6-7,10H2,1-3H3/b5-4+
InChIKeyXFZBEIIBBGSOAF-SNAWJCMRSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(3,5-dimethoxyphenyl)methyl]pent-3-en-1-amine
CID 115628979
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]prop-2-yn-1-amine
CID 82893583
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
5,5,5-trifluoro-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 82893914
ethyl 4-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butanoate
CID 82893296
(4-methoxy-6-methyl-2-pyridinyl)methylhydrazine
CID 82893343
1-(4-methoxy-6-methyl-2-pyridinyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 82893756
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 82893056
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-thiophen-3-ylethanamine
CID 82892985

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine (CID 115924151) is (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine is C/C=C/CCNCc1cc(OC)cc(C)n1.
What is the InChIKey of (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine?
The InChIKey is XFZBEIIBBGSOAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-6-7-14-10-12-9-13(16-3)8-11(2)15-12/h4-5,8-9,14H,6-7,10H2,1-3H3/b5-4+.
What are the key properties of (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine?
(E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 115924151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).