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

C15H29NO — CID 143576267

IUPACethane;(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.CC
InChIInChI=1S/C13H23NO.C2H6/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6;1-2/h7-8,14H,1-2,9-10H2,3-6H3;1-2H3/b12-8-;
InChIKeyOGBVPGLFGVEIAH-JCTPKUEWSA-N
MW239.40 g/mol
LogP4.06
Rot. Bonds6

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

ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine (PubChem CID 143576267) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
PubChem CID143576267
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;(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.CC
InChIInChI=1S/C13H23NO.C2H6/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6;1-2/h7-8,14H,1-2,9-10H2,3-6H3;1-2H3/b12-8-;
InChIKeyOGBVPGLFGVEIAH-JCTPKUEWSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 54.06
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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Related Compounds

3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
CID 123395406
tert-butyl N-[(2E)-2-ethylpenta-2,4-dienyl]carbamate
CID 159388814
(3Z,5Z)-N-(methoxymethyl)-3,5-dimethyl-2-methylidenehepta-3,5-dien-1-amine
CID 166833364
tert-butyl N-[(2Z)-2-ethylpenta-2,4-dienyl]carbamate
CID 169558096
(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
CID 143576268
(Z,2Z)-2-(1-methoxyethylidene)-N-methylpent-3-en-1-amine
CID 144853398

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The IUPAC name of ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine (CID 143576267) is ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The canonical SMILES for ethane;(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.CC.
What is the InChIKey of ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
The InChIKey is OGBVPGLFGVEIAH-JCTPKUEWSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-7-8-12(11(2)3)9-14-10-15-13(4,5)6;1-2/h7-8,14H,1-2,9-10H2,3-6H3;1-2H3/b12-8-;.
What are the key properties of ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine?
ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine has a molecular weight of 239.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine is sourced from PubChem (CID 143576267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).