N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine

C26H51N — CID 54026446

IUPACN,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCCCC(CC)CN(CC=C(C)CCC=C(C)C)CC(CC)CCCC
InChIInChI=1S/C26H51N/c1-8-12-17-25(10-3)21-27(22-26(11-4)18-13-9-2)20-19-24(7)16-14-15-23(5)6/h15,19,25-26H,8-14,16-18,20-22H2,1-7H3
InChIKeyLCNBGCZFMCKPQX-UHFFFAOYSA-N
MW377.70 g/mol
LogP8.41
Rot. Bonds17

About N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine

N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 54026446) has the molecular formula C26H51N and a molecular weight of 377.70 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID54026446
Molecular FormulaC26H51N
Molecular Weight377.70 g/mol
Exact Mass377.40
IUPAC NameN,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCCCC(CC)CN(CC=C(C)CCC=C(C)C)CC(CC)CCCC
InChIInChI=1S/C26H51N/c1-8-12-17-25(10-3)21-27(22-26(11-4)18-13-9-2)20-19-24(7)16-14-15-23(5)6/h15,19,25-26H,8-14,16-18,20-22H2,1-7H3
InChIKeyLCNBGCZFMCKPQX-UHFFFAOYSA-N
XLogP8.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.70
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine (CID 54026446) is N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine is CCCCC(CC)CN(CC=C(C)CCC=C(C)C)CC(CC)CCCC.
What is the InChIKey of N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is LCNBGCZFMCKPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N/c1-8-12-17-25(10-3)21-27(22-26(11-4)18-13-9-2)20-19-24(7)16-14-15-23(5)6/h15,19,25-26H,8-14,16-18,20-22H2,1-7H3.
What are the key properties of N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine?
N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 377.70 g/mol, XLogP of 8.41, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 54026446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).