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

C24H44N2 — CID 14129850

IUPACN',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNCCN(C)C
InChIInChI=1S/C24H44N2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)17-18-25-19-20-26(6)7/h11,13,15,17,25H,8-10,12,14,16,18-20H2,1-7H3/b22-13+,23-15+,24-17+
InChIKeyXHCKGZHONFXTLK-IYRYOAFKSA-N
MW360.63 g/mol
LogP6.28
Rot. Bonds14

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

N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine (PubChem CID 14129850) has the molecular formula C24H44N2 and a molecular weight of 360.63 g/mol. Its IUPAC name is N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
PubChem CID14129850
Molecular FormulaC24H44N2
Molecular Weight360.63 g/mol
Exact Mass360.35
IUPAC NameN',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNCCN(C)C
InChIInChI=1S/C24H44N2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)17-18-25-19-20-26(6)7/h11,13,15,17,25H,8-10,12,14,16,18-20H2,1-7H3/b22-13+,23-15+,24-17+
InChIKeyXHCKGZHONFXTLK-IYRYOAFKSA-N
XLogP6.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 56.28
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'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine (CID 14129850) is N',N'-dimethyl-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'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CNCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
The InChIKey is XHCKGZHONFXTLK-IYRYOAFKSA-N. The full InChI is InChI=1S/C24H44N2/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)17-18-25-19-20-26(6)7/h11,13,15,17,25H,8-10,12,14,16,18-20H2,1-7H3/b22-13+,23-15+,24-17+.
What are the key properties of N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine has a molecular weight of 360.63 g/mol, XLogP of 6.28, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]ethane-1,2-diamine is sourced from PubChem (CID 14129850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).