cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine

C68H95N3 — CID 158495434

IUPACcumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)C1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/C13H14.C12H17N.C9H18.2C9H12.2C8H11N/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3
InChIKeyHJFNBZANGTZBMC-UHFFFAOYSA-N
MW954.53 g/mol
LogP20.06
Rot. Bonds7

About cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine

cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 158495434) has the molecular formula C68H95N3 and a molecular weight of 954.53 g/mol. Its IUPAC name is cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namecumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID158495434
Molecular FormulaC68H95N3
Molecular Weight954.53 g/mol
Exact Mass953.75
IUPAC Namecumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESCC(C)C1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1
InChIInChI=1S/C13H14.C12H17N.C9H18.2C9H12.2C8H11N/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3
InChIKeyHJFNBZANGTZBMC-UHFFFAOYSA-N
XLogP20.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.53
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 158495434) is cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine is CC(C)C1CCCCC1.CC(C)N1CCCc2ccccc21.CC(C)c1cccc2ccccc12.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccncc1.
What is the InChIKey of cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is HJFNBZANGTZBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14.C12H17N.C9H18.2C9H12.2C8H11N/c1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;3*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8/h3-10H,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*3-7H,1-2H3.
What are the key properties of cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine?
cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 954.53 g/mol, XLogP of 20.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;propan-2-ylcyclohexane;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-ylnaphthalene;2-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158495434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).