azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene

C18H27N — CID 162357982

IUPACazane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
SMILESC=C/C=C\C(=C)CC(=C)C.CCc1ccccc1.N
InChIInChI=1S/C10H14.C8H10.H3N/c1-5-6-7-10(4)8-9(2)3;1-2-8-6-4-3-5-7-8;/h5-7H,1-2,4,8H2,3H3;3-7H,2H2,1H3;1H3/b7-6-;;
InChIKeyNPHWGPCAZMJAIN-AQTVDGORSA-N
MW257.42 g/mol
LogP5.66
Rot. Bonds5

About azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene

azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene (PubChem CID 162357982) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene.

Molecular Properties

Compound Nameazane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
PubChem CID162357982
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameazane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
SMILESC=C/C=C\C(=C)CC(=C)C.CCc1ccccc1.N
InChIInChI=1S/C10H14.C8H10.H3N/c1-5-6-7-10(4)8-9(2)3;1-2-8-6-4-3-5-7-8;/h5-7H,1-2,4,8H2,3H3;3-7H,2H2,1H3;1H3/b7-6-;;
InChIKeyNPHWGPCAZMJAIN-AQTVDGORSA-N
XLogP5.66
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene?
The IUPAC name of azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene (CID 162357982) is azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene.
What is the SMILES notation for azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene?
The canonical SMILES for azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene is C=C/C=C\C(=C)CC(=C)C.CCc1ccccc1.N.
What is the InChIKey of azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene?
The InChIKey is NPHWGPCAZMJAIN-AQTVDGORSA-N. The full InChI is InChI=1S/C10H14.C8H10.H3N/c1-5-6-7-10(4)8-9(2)3;1-2-8-6-4-3-5-7-8;/h5-7H,1-2,4,8H2,3H3;3-7H,2H2,1H3;1H3/b7-6-;;.
What are the key properties of azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene?
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene has a molecular weight of 257.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene is sourced from PubChem (CID 162357982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).