1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine

C21H25N3O — CID 135164831

IUPAC1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine
SMILESC=CCOc1cc(/C=C/c2ccccn2)cc(CNCC2CNC2)c1
InChIInChI=1S/C21H25N3O/c1-2-9-25-21-11-17(6-7-20-5-3-4-8-24-20)10-18(12-21)13-22-14-19-15-23-16-19/h2-8,10-12,19,22-23H,1,9,13-16H2/b7-6+
InChIKeyBPTWDFOMPUSYSH-VOTSOKGWSA-N
MW335.45 g/mol
LogP3.13
Rot. Bonds9

About 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine

1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine (PubChem CID 135164831) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine
PubChem CID135164831
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine
SMILESC=CCOc1cc(/C=C/c2ccccn2)cc(CNCC2CNC2)c1
InChIInChI=1S/C21H25N3O/c1-2-9-25-21-11-17(6-7-20-5-3-4-8-24-20)10-18(12-21)13-22-14-19-15-23-16-19/h2-8,10-12,19,22-23H,1,9,13-16H2/b7-6+
InChIKeyBPTWDFOMPUSYSH-VOTSOKGWSA-N
XLogP3.13
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azetidin-3-yl)-N-[[3-[(E)-2-(4-fluorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]methanamine
CID 135164785
N-[[3-[(E)-2-(6-isocyano-2-pyridinyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]-1-pyrrolidin-3-ylmethanamine
CID 140880496
1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethenyl]phenyl]methyl]methanamine
CID 135174194
N-(azetidin-3-ylmethyl)-N'-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]ethane-1,2-diamine
CID 135174217
2-(azetidin-3-ylmethylamino)-N-[[3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxyphenyl]methyl]acetamide
CID 135174197
1-(azetidin-3-yl)-N-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-prop-2-enoxyphenyl]methyl]methanamine
CID 135164915
1-(azetidin-3-yl)-N-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-prop-2-enoxyphenyl]methyl]methanamine
CID 135174140
1-(azetidin-3-yl)-N-[[3-[(4-tert-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135164809
1-(azetidin-3-yl)-N-[[3-[(4-butylphenyl)methoxy]-5-phenylmethoxyphenyl]methyl]methanamine
CID 135174192
1-(azetidin-3-yl)-N-[[3-[(2-bromo-3-pyridinyl)methoxy]phenyl]methyl]methanamine
CID 135164649
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
N-[2-(azetidin-3-ylmethylamino)-2-oxoethyl]-3-[(E)-2-(2-bromo-4-chlorophenyl)ethenyl]-5-prop-2-enoxybenzamide
CID 135174196

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine?
The IUPAC name of 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine (CID 135164831) is 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine is C=CCOc1cc(/C=C/c2ccccn2)cc(CNCC2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine?
The InChIKey is BPTWDFOMPUSYSH-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-9-25-21-11-17(6-7-20-5-3-4-8-24-20)10-18(12-21)13-22-14-19-15-23-16-19/h2-8,10-12,19,22-23H,1,9,13-16H2/b7-6+.
What are the key properties of 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine?
1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine has a molecular weight of 335.45 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N-[[3-prop-2-enoxy-5-[(E)-2-pyridin-2-ylethenyl]phenyl]methyl]methanamine is sourced from PubChem (CID 135164831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).