(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine

C13H21NO — CID 135227890

IUPAC(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)C(N)C1CCOCC1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-11(2)13(14)12-7-9-15-10-8-12/h3-6,12-13H,2,7-10,14H2,1H3/b4-3-,6-5-
InChIKeyYLPLVYKIRFPWOL-OUPQRBNQSA-N
MW207.32 g/mol
LogP2.43
Rot. Bonds4

About (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine

(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine (PubChem CID 135227890) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine
PubChem CID135227890
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)C(N)C1CCOCC1
InChIInChI=1S/C13H21NO/c1-3-4-5-6-11(2)13(14)12-7-9-15-10-8-12/h3-6,12-13H,2,7-10,14H2,1H3/b4-3-,6-5-
InChIKeyYLPLVYKIRFPWOL-OUPQRBNQSA-N
XLogP2.43
TPSA35.25 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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine (CID 135227890) is (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine is C=C(/C=C\C=C/C)C(N)C1CCOCC1.
What is the InChIKey of (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine?
The InChIKey is YLPLVYKIRFPWOL-OUPQRBNQSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-4-5-6-11(2)13(14)12-7-9-15-10-8-12/h3-6,12-13H,2,7-10,14H2,1H3/b4-3-,6-5-.
What are the key properties of (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine?
(3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2-methylidene-1-(oxan-4-yl)hepta-3,5-dien-1-amine is sourced from PubChem (CID 135227890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).