(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine

C30H51N — CID 5367534

IUPAC(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCC/C=C(\C)CN(C/C(C)=C/CCCC(=C)C)C/C(C)=C/CCCC(=C)C
InChIInChI=1S/C30H51N/c1-25(2)16-10-13-19-28(7)22-31(23-29(8)20-14-11-17-26(3)4)24-30(9)21-15-12-18-27(5)6/h19-21H,1,3,5,10-18,22-24H2,2,4,6-9H3/b28-19+,29-20+,30-21+
InChIKeyGSKLUPFIJIDLSA-YILJOUTGSA-N
MW425.75 g/mol
LogP9.37
Rot. Bonds18

About (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine

(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine (PubChem CID 5367534) has the molecular formula C30H51N and a molecular weight of 425.75 g/mol. Its IUPAC name is (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine.

Molecular Properties

Compound Name(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine
PubChem CID5367534
Molecular FormulaC30H51N
Molecular Weight425.75 g/mol
Exact Mass425.40
IUPAC Name(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine
SMILESC=C(C)CCC/C=C(\C)CN(C/C(C)=C/CCCC(=C)C)C/C(C)=C/CCCC(=C)C
InChIInChI=1S/C30H51N/c1-25(2)16-10-13-19-28(7)22-31(23-29(8)20-14-11-17-26(3)4)24-30(9)21-15-12-18-27(5)6/h19-21H,1,3,5,10-18,22-24H2,2,4,6-9H3/b28-19+,29-20+,30-21+
InChIKeyGSKLUPFIJIDLSA-YILJOUTGSA-N
XLogP9.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.75
LogP ≤ 59.37
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 (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine?
The IUPAC name of (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine (CID 5367534) is (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine.
What is the SMILES notation for (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine?
The canonical SMILES for (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine is C=C(C)CCC/C=C(\C)CN(C/C(C)=C/CCCC(=C)C)C/C(C)=C/CCCC(=C)C.
What is the InChIKey of (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine?
The InChIKey is GSKLUPFIJIDLSA-YILJOUTGSA-N. The full InChI is InChI=1S/C30H51N/c1-25(2)16-10-13-19-28(7)22-31(23-29(8)20-14-11-17-26(3)4)24-30(9)21-15-12-18-27(5)6/h19-21H,1,3,5,10-18,22-24H2,2,4,6-9H3/b28-19+,29-20+,30-21+.
What are the key properties of (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine?
(2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine has a molecular weight of 425.75 g/mol, XLogP of 9.37, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-bis[(2E)-2,7-dimethylocta-2,7-dienyl]-2,7-dimethylocta-2,7-dien-1-amine is sourced from PubChem (CID 5367534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).