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

C20H35N — CID 54279550

IUPACN-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3
InChIKeyRPVFRRGIMWLKIH-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.96
Rot. Bonds10

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

N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 54279550) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID54279550
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCCC(C)=CCNCC=C(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3
InChIKeyRPVFRRGIMWLKIH-UHFFFAOYSA-N
XLogP5.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.96
H-Bond Donors ≤ 51
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 N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine (CID 54279550) is N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCCC(C)=CCNCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is RPVFRRGIMWLKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-17(2)9-7-11-19(5)13-15-21-16-14-20(6)12-8-10-18(3)4/h9-10,13-14,21H,7-8,11-12,15-16H2,1-6H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine?
N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.96, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 54279550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).