ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine

C16H29NO — CID 177317217

IUPACethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine
SMILESC=C/C=C(\C=C)CNC1CC(C)OC(C)C1.CC
InChIInChI=1S/C14H23NO.C2H6/c1-5-7-13(6-2)10-15-14-8-11(3)16-12(4)9-14;1-2/h5-7,11-12,14-15H,1-2,8-10H2,3-4H3;1-2H3/b13-7+;
InChIKeyQOUMCCKPDDOFRO-FTPOTTDRSA-N
MW251.41 g/mol
LogP3.86
Rot. Bonds5

About ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine

ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine (PubChem CID 177317217) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound Nameethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine
PubChem CID177317217
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Nameethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine
SMILESC=C/C=C(\C=C)CNC1CC(C)OC(C)C1.CC
InChIInChI=1S/C14H23NO.C2H6/c1-5-7-13(6-2)10-15-14-8-11(3)16-12(4)9-14;1-2/h5-7,11-12,14-15H,1-2,8-10H2,3-4H3;1-2H3/b13-7+;
InChIKeyQOUMCCKPDDOFRO-FTPOTTDRSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enyloxan-4-amine
CID 64106500
2,6-dimethyl-N-prop-2-enyloxan-4-amine
CID 81850354
2,6-dimethyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 103522641
N-(3-methylbut-2-enyl)-2-propyloxan-4-amine
CID 103522688
2-methyl-N-(3-methylbut-2-enyl)oxan-4-amine
CID 103522700
N-but-3-en-2-yl-2-propyloxan-4-amine
CID 104005438
N-ethyl-4-methyl-1-(oxan-2-yl)pent-3-en-2-amine
CID 104252267
4-methyl-1-(oxan-2-yl)-N-propylpent-3-en-2-amine
CID 104252483
N-hex-5-en-2-yl-2-methyloxan-4-amine
CID 104583726
N-[(E)-but-2-enyl]-2-methyloxan-4-amine
CID 105752275
2-methyl-N-(2-methylidenebutyl)oxan-4-amine
CID 105752342
2-methyl-N-(3-methylbut-3-enyl)oxan-4-amine
CID 105752494

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine?
The IUPAC name of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine (CID 177317217) is ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine.
What is the SMILES notation for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine?
The canonical SMILES for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine is C=C/C=C(\C=C)CNC1CC(C)OC(C)C1.CC.
What is the InChIKey of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine?
The InChIKey is QOUMCCKPDDOFRO-FTPOTTDRSA-N. The full InChI is InChI=1S/C14H23NO.C2H6/c1-5-7-13(6-2)10-15-14-8-11(3)16-12(4)9-14;1-2/h5-7,11-12,14-15H,1-2,8-10H2,3-4H3;1-2H3/b13-7+;.
What are the key properties of ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine?
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine has a molecular weight of 251.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 177317217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).