(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine

C36H64N2 — CID 167385042

IUPAC(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine
SMILESC/C=C/C(C)(C)CCC(C)(C)/C=C/CNC/C=C(\C=C(C)C)NC/C=C/C(C)(C)CCC(C)(C)/C=C/CC
InChIInChI=1S/C36H64N2/c1-13-15-20-34(7,8)25-26-36(11,12)22-17-28-38-32(30-31(3)4)18-29-37-27-16-21-35(9,10)24-23-33(5,6)19-14-2/h14-22,30,37-38H,13,23-29H2,1-12H3/b19-14+,20-15+,21-16+,22-17+,32-18+
InChIKeyLVLSECDCMDQZIR-GIDLBEJFSA-N
MW524.92 g/mol
LogP10.34
Rot. Bonds19

About (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine

(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine (PubChem CID 167385042) has the molecular formula C36H64N2 and a molecular weight of 524.92 g/mol. Its IUPAC name is (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine.

Molecular Properties

Compound Name(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine
PubChem CID167385042
Molecular FormulaC36H64N2
Molecular Weight524.92 g/mol
Exact Mass524.51
IUPAC Name(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine
SMILESC/C=C/C(C)(C)CCC(C)(C)/C=C/CNC/C=C(\C=C(C)C)NC/C=C/C(C)(C)CCC(C)(C)/C=C/CC
InChIInChI=1S/C36H64N2/c1-13-15-20-34(7,8)25-26-36(11,12)22-17-28-38-32(30-31(3)4)18-29-37-27-16-21-35(9,10)24-23-33(5,6)19-14-2/h14-22,30,37-38H,13,23-29H2,1-12H3/b19-14+,20-15+,21-16+,22-17+,32-18+
InChIKeyLVLSECDCMDQZIR-GIDLBEJFSA-N
XLogP10.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.92
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine?
The IUPAC name of (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine (CID 167385042) is (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine.
What is the SMILES notation for (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine?
The canonical SMILES for (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine is C/C=C/C(C)(C)CCC(C)(C)/C=C/CNC/C=C(\C=C(C)C)NC/C=C/C(C)(C)CCC(C)(C)/C=C/CC.
What is the InChIKey of (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine?
The InChIKey is LVLSECDCMDQZIR-GIDLBEJFSA-N. The full InChI is InChI=1S/C36H64N2/c1-13-15-20-34(7,8)25-26-36(11,12)22-17-28-38-32(30-31(3)4)18-29-37-27-16-21-35(9,10)24-23-33(5,6)19-14-2/h14-22,30,37-38H,13,23-29H2,1-12H3/b19-14+,20-15+,21-16+,22-17+,32-18+.
What are the key properties of (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine?
(2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine has a molecular weight of 524.92 g/mol, XLogP of 10.34, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-1-N-[(2E,8E)-4,4,7,7-tetramethyldeca-2,8-dienyl]-3-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]hexa-2,4-diene-1,3-diamine is sourced from PubChem (CID 167385042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).