N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine

C8H11N — CID 20817701

IUPACN-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
SMILESC=NC1C(C)=CC=C1C
InChIInChI=1S/C8H11N/c1-6-4-5-7(2)8(6)9-3/h4-5,8H,3H2,1-2H3
InChIKeyMLOHDQNFKSOARE-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds1

About N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine

N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine (PubChem CID 20817701) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
PubChem CID20817701
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine
SMILESC=NC1C(C)=CC=C1C
InChIInChI=1S/C8H11N/c1-6-4-5-7(2)8(6)9-3/h4-5,8H,3H2,1-2H3
InChIKeyMLOHDQNFKSOARE-UHFFFAOYSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
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

N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)methanimine
CID 89246524
N-[(6Z)-6-methylnona-1,6,8-trien-3-yl]methanimine
CID 89260091
N-[(4E)-hepta-4,6-dien-2-yl]methanimine
CID 118245240
N-(6-methylidenecyclohexa-2,4-dien-1-yl)methanimine
CID 123336992
N-hepta-4,6-dien-2-ylmethanimine
CID 123466904
N-(5-methylhex-4-en-2-yl)methanimine
CID 123534808
N-(2,4-dimethylhexa-2,4-dienyl)methanimine
CID 123687156
N-(2-methylcyclohexa-2,4-dien-1-yl)methanimine
CID 123911405
N-[(1Z,3Z)-3-ethyl-2-methylpenta-1,3-dienyl]methanimine
CID 126606832
N-[(2Z,4Z)-5-methylhepta-2,4-dienyl]methanimine
CID 126663663
N-[(3E)-7-ethyl-3-methylnona-3,6-dien-2-yl]methanimine
CID 126735951

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine?
The IUPAC name of N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine (CID 20817701) is N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine.
What is the SMILES notation for N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine?
The canonical SMILES for N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine is C=NC1C(C)=CC=C1C.
What is the InChIKey of N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine?
The InChIKey is MLOHDQNFKSOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-5-7(2)8(6)9-3/h4-5,8H,3H2,1-2H3.
What are the key properties of N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine?
N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylcyclopenta-2,4-dien-1-yl)methanimine is sourced from PubChem (CID 20817701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).