N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine

C19H33NO — CID 135174820

IUPACN-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine
SMILESC=CC(/C=C/C(C)(C)C)=C\C(=C/C)OCCNC(C)(C)C
InChIInChI=1S/C19H33NO/c1-9-16(11-12-18(3,4)5)15-17(10-2)21-14-13-20-19(6,7)8/h9-12,15,20H,1,13-14H2,2-8H3/b12-11+,16-15+,17-10+
InChIKeyUVRRKEGIDRGNLE-IUOGWBCOSA-N
MW291.48 g/mol
LogP5.01
Rot. Bonds7

About N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine

N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine (PubChem CID 135174820) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine
PubChem CID135174820
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine
SMILESC=CC(/C=C/C(C)(C)C)=C\C(=C/C)OCCNC(C)(C)C
InChIInChI=1S/C19H33NO/c1-9-16(11-12-18(3,4)5)15-17(10-2)21-14-13-20-19(6,7)8/h9-12,15,20H,1,13-14H2,2-8H3/b12-11+,16-15+,17-10+
InChIKeyUVRRKEGIDRGNLE-IUOGWBCOSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine (CID 135174820) is N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine is C=CC(/C=C/C(C)(C)C)=C\C(=C/C)OCCNC(C)(C)C.
What is the InChIKey of N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine?
The InChIKey is UVRRKEGIDRGNLE-IUOGWBCOSA-N. The full InChI is InChI=1S/C19H33NO/c1-9-16(11-12-18(3,4)5)15-17(10-2)21-14-13-20-19(6,7)8/h9-12,15,20H,1,13-14H2,2-8H3/b12-11+,16-15+,17-10+.
What are the key properties of N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine?
N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E,4E,6E)-5-ethenyl-8,8-dimethylnona-2,4,6-trien-3-yl]oxyethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 135174820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).