N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine

C26H48N2 — CID 21297959

IUPACN',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H48N2/c1-8-28(9-2)22-21-27-20-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h13,15,17,19,27H,8-12,14,16,18,20-22H2,1-7H3/b24-15+,25-17+,26-19+
InChIKeyBWJUFHRPKOYHES-QGBZOTKOSA-N
MW388.68 g/mol
LogP7.06
Rot. Bonds16

About N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine

N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine (PubChem CID 21297959) has the molecular formula C26H48N2 and a molecular weight of 388.68 g/mol. Its IUPAC name is N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
PubChem CID21297959
Molecular FormulaC26H48N2
Molecular Weight388.68 g/mol
Exact Mass388.38
IUPAC NameN',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
SMILESCCN(CC)CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C26H48N2/c1-8-28(9-2)22-21-27-20-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h13,15,17,19,27H,8-12,14,16,18,20-22H2,1-7H3/b24-15+,25-17+,26-19+
InChIKeyBWJUFHRPKOYHES-QGBZOTKOSA-N
XLogP7.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.68
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine (CID 21297959) is N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine is CCN(CC)CCNC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The InChIKey is BWJUFHRPKOYHES-QGBZOTKOSA-N. The full InChI is InChI=1S/C26H48N2/c1-8-28(9-2)22-21-27-20-19-26(7)18-12-17-25(6)16-11-15-24(5)14-10-13-23(3)4/h13,15,17,19,27H,8-12,14,16,18,20-22H2,1-7H3/b24-15+,25-17+,26-19+.
What are the key properties of N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine has a molecular weight of 388.68 g/mol, XLogP of 7.06, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine is sourced from PubChem (CID 21297959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).