(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine

C19H35N — CID 89245683

IUPAC(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine
SMILESC=C/C(C)=C\C(C)=C(/C)C(N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H35N/c1-12-14(2)13-15(3)16(4)17(18(5,6)7)20(11)19(8,9)10/h12-13,17H,1H2,2-11H3/b14-13-,16-15+
InChIKeyAIMPSIVBRRUEJR-DHEZTBRESA-N
MW277.50 g/mol
LogP5.60
Rot. Bonds4

About (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine

(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine (PubChem CID 89245683) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine.

Molecular Properties

Compound Name(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine
PubChem CID89245683
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine
SMILESC=C/C(C)=C\C(C)=C(/C)C(N(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H35N/c1-12-14(2)13-15(3)16(4)17(18(5,6)7)20(11)19(8,9)10/h12-13,17H,1H2,2-11H3/b14-13-,16-15+
InChIKeyAIMPSIVBRRUEJR-DHEZTBRESA-N
XLogP5.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine?
The IUPAC name of (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine (CID 89245683) is (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine.
What is the SMILES notation for (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine?
The canonical SMILES for (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine is C=C/C(C)=C\C(C)=C(/C)C(N(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine?
The InChIKey is AIMPSIVBRRUEJR-DHEZTBRESA-N. The full InChI is InChI=1S/C19H35N/c1-12-14(2)13-15(3)16(4)17(18(5,6)7)20(11)19(8,9)10/h12-13,17H,1H2,2-11H3/b14-13-,16-15+.
What are the key properties of (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine?
(4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine has a molecular weight of 277.50 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N-tert-butyl-N,2,2,4,5,7-hexamethylnona-4,6,8-trien-3-amine is sourced from PubChem (CID 89245683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).