N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine

C13H21NO — CID 88543125

IUPACN-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine
SMILESC=C(/C=C\C)C1(C(=C)NC)CCOCC1
InChIInChI=1S/C13H21NO/c1-5-6-11(2)13(12(3)14-4)7-9-15-10-8-13/h5-6,14H,2-3,7-10H2,1,4H3/b6-5-
InChIKeyOHFIBOOUVKXYDV-WAYWQWQTSA-N
MW207.32 g/mol
LogP2.65
Rot. Bonds4

About N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine

N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine (PubChem CID 88543125) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine
PubChem CID88543125
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine
SMILESC=C(/C=C\C)C1(C(=C)NC)CCOCC1
InChIInChI=1S/C13H21NO/c1-5-6-11(2)13(12(3)14-4)7-9-15-10-8-13/h5-6,14H,2-3,7-10H2,1,4H3/b6-5-
InChIKeyOHFIBOOUVKXYDV-WAYWQWQTSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine 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-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
(2E,4E)-4-N-methyl-2-N-(oxan-4-ylmethyl)-3-prop-1-en-2-ylhepta-2,4,6-triene-2,4-diamine
CID 144055462
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene;molecular hydrogen
CID 145312242
ethane;(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333975
2-(1-methoxy-3-methylpentan-3-yl)-1H-azepine
CID 174247184
(E)-N-methyl-1-(oxan-4-yl)but-1-en-1-amine
CID 178812515
(9E,11Z,13E)-14-methyl-3-oxa-8-azaspiro[5.8]tetradeca-9,11,13-triene
CID 145312243
(3Z)-5-methyl-N-(oxan-4-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153333976
(Z)-N-methyl-1-(oxan-4-yl)prop-1-en-1-amine
CID 170970131

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine?
The IUPAC name of N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine (CID 88543125) is N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine?
The canonical SMILES for N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine is C=C(/C=C\C)C1(C(=C)NC)CCOCC1.
What is the InChIKey of N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine?
The InChIKey is OHFIBOOUVKXYDV-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-11(2)13(12(3)14-4)7-9-15-10-8-13/h5-6,14H,2-3,7-10H2,1,4H3/b6-5-.
What are the key properties of N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine?
N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine has a molecular weight of 207.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(3Z)-penta-1,3-dien-2-yl]oxan-4-yl]ethenamine is sourced from PubChem (CID 88543125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).