(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine

C13H23NO — CID 143576268

IUPAC(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNCOC(C)(C)C)C(=C)C
InChIInChI=1S/C13H23NO/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6/h7-8,14H,1-2,9-10H2,3-6H3/b12-8-
InChIKeyFWVLHULPWLSECV-WQLSENKSSA-N
MW209.33 g/mol
LogP3.04
Rot. Bonds6

About (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine

(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine (PubChem CID 143576268) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
PubChem CID143576268
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
SMILESC=C/C=C(/CNCOC(C)(C)C)C(=C)C
InChIInChI=1S/C13H23NO/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6/h7-8,14H,1-2,9-10H2,3-6H3/b12-8-
InChIKeyFWVLHULPWLSECV-WQLSENKSSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine (CID 143576268) is (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine is C=C/C=C(/CNCOC(C)(C)C)C(=C)C.
What is the InChIKey of (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The InChIKey is FWVLHULPWLSECV-WQLSENKSSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6/h7-8,14H,1-2,9-10H2,3-6H3/b12-8-.
What are the key properties of (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143576268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).