N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine

C19H33N — CID 123423630

IUPACN-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine
SMILESCC=C(C)C(CC=C(C)C)/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-8-18(7)19(13-12-16(4)5)20-14-17(6)11-9-10-15(2)3/h8,10,12,14,17,19H,9,11,13H2,1-7H3/b18-8?,20-14+
InChIKeyYTVLFRMVTJZSDM-CBOHPPGCSA-N
MW275.48 g/mol
LogP6.13
Rot. Bonds8

About N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine

N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine (PubChem CID 123423630) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine
PubChem CID123423630
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine
SMILESCC=C(C)C(CC=C(C)C)/N=C/C(C)CCC=C(C)C
InChIInChI=1S/C19H33N/c1-8-18(7)19(13-12-16(4)5)20-14-17(6)11-9-10-15(2)3/h8,10,12,14,17,19H,9,11,13H2,1-7H3/b18-8?,20-14+
InChIKeyYTVLFRMVTJZSDM-CBOHPPGCSA-N
XLogP6.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-dien-4-yl)-2,6-dimethylhept-5-en-1-imine?
The IUPAC name of N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine (CID 123423630) is N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine is CC=C(C)C(CC=C(C)C)/N=C/C(C)CCC=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine?
The InChIKey is YTVLFRMVTJZSDM-CBOHPPGCSA-N. The full InChI is InChI=1S/C19H33N/c1-8-18(7)19(13-12-16(4)5)20-14-17(6)11-9-10-15(2)3/h8,10,12,14,17,19H,9,11,13H2,1-7H3/b18-8?,20-14+.
What are the key properties of N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine?
N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine has a molecular weight of 275.48 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dien-4-yl)-2,6-dimethylhept-5-en-1-imine is sourced from PubChem (CID 123423630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).