2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete

C25H40N4 — CID 58690913

IUPAC2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
SMILESCC(C)C1=CC(C(C2=NC(C(C)C)C2)(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1
InChIInChI=1S/C25H40N4/c1-13(2)17-9-21(26-17)25(22-10-18(27-22)14(3)4,23-11-19(28-23)15(5)6)24-12-20(29-24)16(7)8/h9,13-16,18,21,23-24,26H,10-12H2,1-8H3
InChIKeyRSWUXGMHLRKRCZ-UHFFFAOYSA-N
MW396.62 g/mol
LogP5.09
Rot. Bonds8

About 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete

2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete (PubChem CID 58690913) has the molecular formula C25H40N4 and a molecular weight of 396.62 g/mol. Its IUPAC name is 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete.

Molecular Properties

Compound Name2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
PubChem CID58690913
Molecular FormulaC25H40N4
Molecular Weight396.62 g/mol
Exact Mass396.33
IUPAC Name2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
SMILESCC(C)C1=CC(C(C2=NC(C(C)C)C2)(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1
InChIInChI=1S/C25H40N4/c1-13(2)17-9-21(26-17)25(22-10-18(27-22)14(3)4,23-11-19(28-23)15(5)6)24-12-20(29-24)16(7)8/h9,13-16,18,21,23-24,26H,10-12H2,1-8H3
InChIKeyRSWUXGMHLRKRCZ-UHFFFAOYSA-N
XLogP5.09
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete 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

2-[Bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete;zirconium
CID 58690907
2-Propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete;zirconium
CID 58690912
4-Ethyl-2-[(4-ethyl-1,2-dihydroazet-2-yl)-bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58915532
2-[Bis(4-ethyl-2,3-dihydroazet-2-yl)methyl]-4-ethyl-1,2-dihydroazete
CID 59593610
[1-[4-(Ethylamino)cyclohex-3-en-1-yl]-4-methylpentan-3-ylidene]-methyl-(4-methylpent-1-en-2-yl)azanium
CID 123249569
2,2-dimethylheptane;(E)-5,5-dimethylhex-3-en-2-amine;bis((E)-2,2-dimethylhex-3-ene);8,8-dimethylnonan-2-imine;(E)-4,4-dimethylpent-2-ene;(E)-4,4-dimethyl-N-prop-1-en-2-ylpent-2-en-1-amine;N,N,5,5-tetramethylhexan-1-amine;(E)-2,2,5,5-tetramethylhex-3-ene;bis(N,5,5-trimethylhexan-1-amine);2,8,8-trimethylnon-1-ene
CID 160195050
2-[Bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-4-propan-2-yl-1,2-dihydroazete
CID 58690908
2-N-[(3Z,5E)-4,5-dimethyl-2-prop-1-enylidenehepta-3,5-dienyl]-7-N,6,6-trimethyl-5-methylidene-3-prop-2-enyliminonon-1-ene-2,7-diamine
CID 143346740

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The IUPAC name of 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete (CID 58690913) is 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete.
What is the SMILES notation for 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The canonical SMILES for 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete is CC(C)C1=CC(C(C2=NC(C(C)C)C2)(C2CC(C(C)C)=N2)C2CC(C(C)C)=N2)N1.
What is the InChIKey of 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
The InChIKey is RSWUXGMHLRKRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4/c1-13(2)17-9-21(26-17)25(22-10-18(27-22)14(3)4,23-11-19(28-23)15(5)6)24-12-20(29-24)16(7)8/h9,13-16,18,21,23-24,26H,10-12H2,1-8H3.
What are the key properties of 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete?
2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete has a molecular weight of 396.62 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[(4-propan-2-yl-1,2-dihydroazet-2-yl)-bis(4-propan-2-yl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete is sourced from PubChem (CID 58690913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).