(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine

C19H33N — CID 6434915

IUPAC(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine
SMILESC=CCN(C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h7,10,12,14H,1,8-9,11,13,15-16H2,2-6H3/b18-12+,19-14+
InChIKeyFQILZBBMBPPIJB-IJNKXORISA-N
MW275.48 g/mol
LogP5.52
Rot. Bonds10

About (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine

(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine (PubChem CID 6434915) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine
PubChem CID6434915
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine
SMILESC=CCN(C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h7,10,12,14H,1,8-9,11,13,15-16H2,2-6H3/b18-12+,19-14+
InChIKeyFQILZBBMBPPIJB-IJNKXORISA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine (CID 6434915) is (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine is C=CCN(C)C/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine?
The InChIKey is FQILZBBMBPPIJB-IJNKXORISA-N. The full InChI is InChI=1S/C19H33N/c1-7-15-20(6)16-14-19(5)13-9-12-18(4)11-8-10-17(2)3/h7,10,12,14H,1,8-9,11,13,15-16H2,2-6H3/b18-12+,19-14+.
What are the key properties of (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine?
(2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-N,3,7,11-tetramethyl-N-prop-2-enyldodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 6434915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).