(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine

C31H55N — CID 6481913

IUPAC(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine
SMILESCCN(CC)CCCC(C)=CCC/C(C)=C/CCC=C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C31H55N/c1-9-32(10-2)26-16-25-31(8)24-15-22-29(6)19-12-11-18-28(5)21-14-23-30(7)20-13-17-27(3)4/h17-19,23-24H,9-16,20-22,25-26H2,1-8H3/b28-18?,29-19+,30-23+,31-24?
InChIKeyDYTYGLWXXSHWDM-LGXAKQQESA-N
MW441.79 g/mol
LogP9.98
Rot. Bonds18

About (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine

(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine (PubChem CID 6481913) has the molecular formula C31H55N and a molecular weight of 441.79 g/mol. Its IUPAC name is (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine.

Molecular Properties

Compound Name(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine
PubChem CID6481913
Molecular FormulaC31H55N
Molecular Weight441.79 g/mol
Exact Mass441.43
IUPAC Name(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine
SMILESCCN(CC)CCCC(C)=CCC/C(C)=C/CCC=C(C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C31H55N/c1-9-32(10-2)26-16-25-31(8)24-15-22-29(6)19-12-11-18-28(5)21-14-23-30(7)20-13-17-27(3)4/h17-19,23-24H,9-16,20-22,25-26H2,1-8H3/b28-18?,29-19+,30-23+,31-24?
InChIKeyDYTYGLWXXSHWDM-LGXAKQQESA-N
XLogP9.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine?
The IUPAC name of (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine (CID 6481913) is (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine.
What is the SMILES notation for (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine?
The canonical SMILES for (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine is CCN(CC)CCCC(C)=CCC/C(C)=C/CCC=C(C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine?
The InChIKey is DYTYGLWXXSHWDM-LGXAKQQESA-N. The full InChI is InChI=1S/C31H55N/c1-9-32(10-2)26-16-25-31(8)24-15-22-29(6)19-12-11-18-28(5)21-14-23-30(7)20-13-17-27(3)4/h17-19,23-24H,9-16,20-22,25-26H2,1-8H3/b28-18?,29-19+,30-23+,31-24?.
What are the key properties of (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine?
(8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine has a molecular weight of 441.79 g/mol, XLogP of 9.98, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,16E)-N,N-diethyl-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-amine is sourced from PubChem (CID 6481913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).