acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene

C35H45N3 — CID 145010791

IUPACacridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C14H14.C13H11N3.C4H8.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-4(2)3;2*1-2/h3-10H,1-2H3;1-7H,14-15H2;1H2,2-3H3;2*1-2H3
InChIKeyZRLDOYJZDLPZFI-UHFFFAOYSA-N
MW507.77 g/mol
LogP10.16
Rot. Bonds1

About acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene

acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene (PubChem CID 145010791) has the molecular formula C35H45N3 and a molecular weight of 507.77 g/mol. Its IUPAC name is acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene.

Molecular Properties

Compound Nameacridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene
PubChem CID145010791
Molecular FormulaC35H45N3
Molecular Weight507.77 g/mol
Exact Mass507.36
IUPAC Nameacridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene
SMILESC=C(C)C.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C14H14.C13H11N3.C4H8.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-4(2)3;2*1-2/h3-10H,1-2H3;1-7H,14-15H2;1H2,2-3H3;2*1-2H3
InChIKeyZRLDOYJZDLPZFI-UHFFFAOYSA-N
XLogP10.16
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.77
LogP ≤ 510.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene 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

N-(6-aminoacridin-3-yl)-2-methylprop-2-enamide
CID 102477070
acridine;acridine-3,6-diamine
CID 21276006
ethane;4-(4-methylphenyl)aniline
CID 142892908
N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
CID 164529364
4-amino-2-(4-methylphenyl)phenol
CID 22256169
2-(4-methylphenyl)-1,3-benzothiazol-5-amine
CID 67331050
acridin-3-amine;sulfuric acid;hydrate
CID 175099917
3-N-chloroacridine-3,6-diamine
CID 89256512
phenazine-2,3,7-triamine
CID 13244876
ethane;6-methylphenanthren-3-amine
CID 144939359
2-methylquinazolin-7-amine
CID 59164781
4-amino-2-(4-methylphenyl)phenol;hydrochloride
CID 22706619

Frequently Asked Questions

What is the IUPAC name of acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene?
The IUPAC name of acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene (CID 145010791) is acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene.
What is the SMILES notation for acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene?
The canonical SMILES for acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene is C=C(C)C.CC.CC.Cc1ccc(-c2ccc(C)cc2)cc1.Nc1ccc2cc3ccc(N)cc3nc2c1.
What is the InChIKey of acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene?
The InChIKey is ZRLDOYJZDLPZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C13H11N3.C4H8.2C2H6/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-4(2)3;2*1-2/h3-10H,1-2H3;1-7H,14-15H2;1H2,2-3H3;2*1-2H3.
What are the key properties of acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene?
acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene has a molecular weight of 507.77 g/mol, XLogP of 10.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-3,6-diamine;ethane;1-methyl-4-(4-methylphenyl)benzene;2-methylprop-1-ene is sourced from PubChem (CID 145010791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).