sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene

C15H17Na — CID 71421135

IUPACsodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
SMILES[CH2-]c1ccc(C(C)C)cc2c(C)ccc1-2.[Na+]
InChIInChI=1S/C15H17.Na/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13;/h5-10H,3H2,1-2,4H3;/q-1;+1
InChIKeyZMYJUIOYOFQACF-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.41
Rot. Bonds1

About sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene

sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene (PubChem CID 71421135) has the molecular formula C15H17Na and a molecular weight of 220.29 g/mol. Its IUPAC name is sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene.

Molecular Properties

Compound Namesodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
PubChem CID71421135
Molecular FormulaC15H17Na
Molecular Weight220.29 g/mol
Exact Mass220.12
IUPAC Namesodium 4-methanidyl-1-methyl-7-propan-2-ylazulene
SMILES[CH2-]c1ccc(C(C)C)cc2c(C)ccc1-2.[Na+]
InChIInChI=1S/C15H17.Na/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13;/h5-10H,3H2,1-2,4H3;/q-1;+1
InChIKeyZMYJUIOYOFQACF-UHFFFAOYSA-N
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
2-(bromomethyl)-4-methyl-1-(2-methyl-5-propan-2-ylphenyl)benzene
CID 90322355
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
4-(2-methyl-5-propan-2-ylphenyl)phenol
CID 151746189
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
3-chloro-2-methyl-1-(1-methyl-7-propan-2-ylazulen-4-yl)butan-2-ol
CID 12992072
2-methyl-5-propan-2-ylaniline;hydrochloride
CID 70565459
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424
1,4-di(propan-2-yl)benzene;2-methyl-1-(2-methyl-4-propan-2-ylphenyl)-4-propan-2-ylbenzene;1-propan-2-yl-4-(4-propan-2-ylphenoxy)benzene
CID 159090992
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385
4,5-dimethyl-2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116887657
3-methyl-6-propan-2-yl-1H-isoindole
CID 170283669

Frequently Asked Questions

What is the IUPAC name of sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene?
The IUPAC name of sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene (CID 71421135) is sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene.
What is the SMILES notation for sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene?
The canonical SMILES for sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene is [CH2-]c1ccc(C(C)C)cc2c(C)ccc1-2.[Na+].
What is the InChIKey of sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene?
The InChIKey is ZMYJUIOYOFQACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17.Na/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13;/h5-10H,3H2,1-2,4H3;/q-1;+1.
What are the key properties of sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene?
sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene has a molecular weight of 220.29 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-methanidyl-1-methyl-7-propan-2-ylazulene is sourced from PubChem (CID 71421135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).