(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine

C25H37N — CID 6446210

IUPAC(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C/CN(C)C/C=C\c1ccccc1
InChIInChI=1S/C25H37N/c1-22(2)12-9-13-23(3)14-10-15-24(4)19-21-26(5)20-11-18-25-16-7-6-8-17-25/h6-8,11-12,14,16-19H,9-10,13,15,20-21H2,1-5H3/b18-11-,23-14-,24-19+
InChIKeyDUXXMKJBKFTNTG-ATOQAXFPSA-N
MW351.58 g/mol
LogP7.05
Rot. Bonds11

About (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine

(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine (PubChem CID 6446210) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine.

Molecular Properties

Compound Name(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine
PubChem CID6446210
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC Name(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C/CN(C)C/C=C\c1ccccc1
InChIInChI=1S/C25H37N/c1-22(2)12-9-13-23(3)14-10-15-24(4)19-21-26(5)20-11-18-25-16-7-6-8-17-25/h6-8,11-12,14,16-19H,9-10,13,15,20-21H2,1-5H3/b18-11-,23-14-,24-19+
InChIKeyDUXXMKJBKFTNTG-ATOQAXFPSA-N
XLogP7.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 57.05
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,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine?
The IUPAC name of (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine (CID 6446210) is (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine.
What is the SMILES notation for (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine?
The canonical SMILES for (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine is CC(C)=CCC/C(C)=C\CC/C(C)=C/CN(C)C/C=C\c1ccccc1.
What is the InChIKey of (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine?
The InChIKey is DUXXMKJBKFTNTG-ATOQAXFPSA-N. The full InChI is InChI=1S/C25H37N/c1-22(2)12-9-13-23(3)14-10-15-24(4)19-21-26(5)20-11-18-25-16-7-6-8-17-25/h6-8,11-12,14,16-19H,9-10,13,15,20-21H2,1-5H3/b18-11-,23-14-,24-19+.
What are the key properties of (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine?
(2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine has a molecular weight of 351.58 g/mol, XLogP of 7.05, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-N,3,7,11-tetramethyl-N-[(Z)-3-phenylprop-2-enyl]dodeca-2,6,10-trien-1-amine is sourced from PubChem (CID 6446210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).