N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine

C25H37N — CID 10291574

IUPACN-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
SMILESCCCC1=C(CCC)C(CCC)=C(CCC)C1=Nc1c(C)cccc1C
InChIInChI=1S/C25H37N/c1-7-12-20-21(13-8-2)23(15-10-4)25(22(20)14-9-3)26-24-18(5)16-11-17-19(24)6/h11,16-17H,7-10,12-15H2,1-6H3
InChIKeyQBQLINOUOFVQDC-UHFFFAOYSA-N
MW351.58 g/mol
LogP8.18
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine

N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine (PubChem CID 10291574) has the molecular formula C25H37N and a molecular weight of 351.58 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
PubChem CID10291574
Molecular FormulaC25H37N
Molecular Weight351.58 g/mol
Exact Mass351.29
IUPAC NameN-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine
SMILESCCCC1=C(CCC)C(CCC)=C(CCC)C1=Nc1c(C)cccc1C
InChIInChI=1S/C25H37N/c1-7-12-20-21(13-8-2)23(15-10-4)25(22(20)14-9-3)26-24-18(5)16-11-17-19(24)6/h11,16-17H,7-10,12-15H2,1-6H3
InChIKeyQBQLINOUOFVQDC-UHFFFAOYSA-N
XLogP8.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.58
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N,5-N,9-N,10-N-tetrakis(2,6-dimethylphenyl)pyrene-4,5,9,10-tetraimine
CID 102141031
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
tetramethyl 5,6-bis[(2,6-dimethylphenyl)imino]cyclohexa-1,3-diene-1,2,3,4-tetracarboxylate
CID 122218204
1-N,2-N-bis(2-ethyl-6-methylphenyl)acenaphthylene-1,2-diimine;carbanide;nickel
CID 20789314
1,3-dimethyl-2-propylbenzene;prop-1-yne
CID 143326143
(2,6-dimethylphenyl)iminotitanium(2+)
CID 11384908
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-benzodithiine-2,3-diimine
CID 22638444
1-methyl-2-(3-propylphenyl)benzene
CID 143365994
hexane;1,2,3-trimethylbenzene
CID 159405289
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(3+)
CID 87959854
2-N,3-N-bis(2,6-dimethylphenyl)-1,4-dimethylpiperazine-2,3-diimine;nickel(2+)
CID 158655224
1-methyl-3-[1-(3-methyl-2-propylphenyl)ethyl]-2-propylbenzene
CID 54553912

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The IUPAC name of N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine (CID 10291574) is N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The canonical SMILES for N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine is CCCC1=C(CCC)C(CCC)=C(CCC)C1=Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
The InChIKey is QBQLINOUOFVQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N/c1-7-12-20-21(13-8-2)23(15-10-4)25(22(20)14-9-3)26-24-18(5)16-11-17-19(24)6/h11,16-17H,7-10,12-15H2,1-6H3.
What are the key properties of N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine?
N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine has a molecular weight of 351.58 g/mol, XLogP of 8.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-imine is sourced from PubChem (CID 10291574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).