(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine

C30H52N2 — CID 5376258

IUPAC(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)C(N)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H52N2/c1-23(2)13-9-15-25(5)17-11-19-27(7)21-29(31)30(32)22-28(8)20-12-18-26(6)16-10-14-24(3)4/h13-14,17-18,21-22,29-30H,9-12,15-16,19-20,31-32H2,1-8H3/b25-17+,26-18+,27-21+,28-22+
InChIKeyGVFQVRGAAZEISR-ZXPULGRGSA-N
MW440.76 g/mol
LogP8.48
Rot. Bonds15

About (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine

(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine (PubChem CID 5376258) has the molecular formula C30H52N2 and a molecular weight of 440.76 g/mol. Its IUPAC name is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine.

Molecular Properties

Compound Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine
PubChem CID5376258
Molecular FormulaC30H52N2
Molecular Weight440.76 g/mol
Exact Mass440.41
IUPAC Name(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)C(N)/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C30H52N2/c1-23(2)13-9-15-25(5)17-11-19-27(7)21-29(31)30(32)22-28(8)20-12-18-26(6)16-10-14-24(3)4/h13-14,17-18,21-22,29-30H,9-12,15-16,19-20,31-32H2,1-8H3/b25-17+,26-18+,27-21+,28-22+
InChIKeyGVFQVRGAAZEISR-ZXPULGRGSA-N
XLogP8.48
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine?
The IUPAC name of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine (CID 5376258) is (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine.
What is the SMILES notation for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine?
The canonical SMILES for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)C(N)/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine?
The InChIKey is GVFQVRGAAZEISR-ZXPULGRGSA-N. The full InChI is InChI=1S/C30H52N2/c1-23(2)13-9-15-25(5)17-11-19-27(7)21-29(31)30(32)22-28(8)20-12-18-26(6)16-10-14-24(3)4/h13-14,17-18,21-22,29-30H,9-12,15-16,19-20,31-32H2,1-8H3/b25-17+,26-18+,27-21+,28-22+.
What are the key properties of (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine?
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine has a molecular weight of 440.76 g/mol, XLogP of 8.48, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene-12,13-diamine is sourced from PubChem (CID 5376258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).