azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene

C18H27N — CID 170745026

IUPACazane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene
SMILESC=CC(=C)CCCC(=C)[C@@H](C)Cc1ccccc1.N
InChIInChI=1S/C18H24.H3N/c1-5-15(2)10-9-11-16(3)17(4)14-18-12-7-6-8-13-18;/h5-8,12-13,17H,1-3,9-11,14H2,4H3;1H3/t17-;/m0./s1
InChIKeyUEIFXXFMECGKKI-LMOVPXPDSA-N
MW257.42 g/mol
LogP5.50
Rot. Bonds8

About azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene

azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene (PubChem CID 170745026) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene.

Molecular Properties

Compound Nameazane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene
PubChem CID170745026
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Nameazane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene
SMILESC=CC(=C)CCCC(=C)[C@@H](C)Cc1ccccc1.N
InChIInChI=1S/C18H24.H3N/c1-5-15(2)10-9-11-16(3)17(4)14-18-12-7-6-8-13-18;/h5-8,12-13,17H,1-3,9-11,14H2,4H3;1H3/t17-;/m0./s1
InChIKeyUEIFXXFMECGKKI-LMOVPXPDSA-N
XLogP5.50
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.42
LogP ≤ 55.50
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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Related Compounds

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calcium 2-methyl-3-phenylpropanoic acid
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(E)-1-phenylpent-3-en-2-ol
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CID 20537348
CID 20537348
[(Z,3Z)-2-methyl-3-(2-methylprop-2-enylidene)hept-4-enyl]benzene
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2-benzylprop-2-enoic acid;(2R)-2-methyl-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene?
The IUPAC name of azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene (CID 170745026) is azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene.
What is the SMILES notation for azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene?
The canonical SMILES for azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene is C=CC(=C)CCCC(=C)[C@@H](C)Cc1ccccc1.N.
What is the InChIKey of azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene?
The InChIKey is UEIFXXFMECGKKI-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H24.H3N/c1-5-15(2)10-9-11-16(3)17(4)14-18-12-7-6-8-13-18;/h5-8,12-13,17H,1-3,9-11,14H2,4H3;1H3/t17-;/m0./s1.
What are the key properties of azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene?
azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene has a molecular weight of 257.42 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[(2S)-2-methyl-3,7-dimethylidenenon-8-enyl]benzene is sourced from PubChem (CID 170745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).