2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine

C24H43N — CID 10947963

IUPAC2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
SMILESC=CCCC/C=C/CN(C/C=C/CCCC=C)CC(CC)CCCC
InChIInChI=1S/C24H43N/c1-5-9-12-14-16-18-21-25(22-19-17-15-13-10-6-2)23-24(8-4)20-11-7-3/h5-6,16-19,24H,1-2,7-15,20-23H2,3-4H3/b18-16+,19-17+
InChIKeyVYLNXASLJMSATD-YWNVXTCZSA-N
MW345.62 g/mol
LogP7.33
Rot. Bonds18

About 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine

2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine (PubChem CID 10947963) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
PubChem CID10947963
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
SMILESC=CCCC/C=C/CN(C/C=C/CCCC=C)CC(CC)CCCC
InChIInChI=1S/C24H43N/c1-5-9-12-14-16-18-21-25(22-19-17-15-13-10-6-2)23-24(8-4)20-11-7-3/h5-6,16-19,24H,1-2,7-15,20-23H2,3-4H3/b18-16+,19-17+
InChIKeyVYLNXASLJMSATD-YWNVXTCZSA-N
XLogP7.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.33
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 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine (CID 10947963) is 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine is C=CCCC/C=C/CN(C/C=C/CCCC=C)CC(CC)CCCC.
What is the InChIKey of 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine?
The InChIKey is VYLNXASLJMSATD-YWNVXTCZSA-N. The full InChI is InChI=1S/C24H43N/c1-5-9-12-14-16-18-21-25(22-19-17-15-13-10-6-2)23-24(8-4)20-11-7-3/h5-6,16-19,24H,1-2,7-15,20-23H2,3-4H3/b18-16+,19-17+.
What are the key properties of 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine?
2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine has a molecular weight of 345.62 g/mol, XLogP of 7.33, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine is sourced from PubChem (CID 10947963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).